(Q105212523)

English

methyl (4aS,6S,7R,7aS)-7-methyl-6-(pyridine-3-carbonyloxy)-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(methoxycarbonyl)-7-methyl-1H,2H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyridin-6-yl pyridine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

316.14230712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₀N₂O₄

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canonical SMILES

O=C(OC)C1=CNCC2C1CC(OC(=O)C=3C=NC=CC3)C2C

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isomeric SMILES

COC(=O)C1=CNC[C@H]2[C@@H]1C[C@H](OC(=O)c1cccnc1)[C@@H]2C

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found in taxon

Scaevola racemigera

1 reference

stated in

Plantes de Nouvelle-Calédonie. 94e Communication. Alcaloïdes monoterpéniques deScaevola racemigeraDÄNIKER

Identifiers

InChI

InChI=1S/C17H20N2O4/c1-10-13-8-19-9-14(17(21)22-2)12(13)6-15(10)23-16(20)11-4-3-5-18-7-11/h3-5,7,9-10,12-13,15,19H,6,8H2,1-2H3/t10-,12+,13-,15+/m1/s1

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InChIKey

POMSZMYEBAWFCN-ZRQNBYAXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POMSZMYEBAWFCN-ZRQNBYAXSA-N

1 reference

(Q105212523)

methyl (4aS,6S,7R,7aS)-7-methyl-6-(pyridine-3-carbonyloxy)-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylate

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Identifiers

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