(Q104388803)

English

methyl (E)-2-[(6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate

group of stereoisomers with the chemical formula C₂₂H₂₈N₂O₄

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instance of

group of stereoisomers

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384.2049073759999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₈N₂O₄

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canonical SMILES

CCC1CN2CCC3(C(=O)Nc4ccccc43)C2CC1C(=COC)C(=O)OC

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isomeric SMILES

CC[C@H]1CN2CCC3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

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Identifiers

InChI

InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22?/m0/s1

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InChIKey

DAXYUDFNWXHGBE-GXONQVTISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DAXYUDFNWXHGBE-GXONQVTISA-N

1 reference

(Q104388803)

methyl (E)-2-[(6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate

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