(Q105178172)

English

(E)-5-(2,6-dimethyl-5-oxopyrano[3,2-c]quinolin-2-yl)-2,2-dimethylpent-3-enoic acid

group of stereoisomers with the chemical formula C₂₁H₂₃NO₄

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instance of

group of stereoisomers

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1 reference

353.162708216 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₃NO₄

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canonical SMILES

O=C(O)C(C=CCC1(OC2=C(C=C1)C(=O)N(C=3C=CC=CC23)C)C)(C)C

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isomeric SMILES

Cn1c(=O)c2c(c3ccccc31)OC(C)(C/C=C/C(C)(C)C(=O)O)C=C2

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Pyranoquinoline alkaloids from Zanthoxylum simulans

Identifiers

InChI

InChI=1S/C21H23NO4/c1-20(2,19(24)25)11-7-12-21(3)13-10-15-17(26-21)14-8-5-6-9-16(14)22(4)18(15)23/h5-11,13H,12H2,1-4H3,(H,24,25)/b11-7+

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InChIKey

NESXZXIMDDWEST-YRNVUSSQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NESXZXIMDDWEST-YRNVUSSQSA-N

1 reference

(Q105178172)

(E)-5-(2,6-dimethyl-5-oxopyrano[3,2-c]quinolin-2-yl)-2,2-dimethylpent-3-enoic acid

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Identifiers

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