methyl 7-[(5R)-2-oxidanylidene-5-[(E,3S)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]heptanoate

Systemtic Name: methyl 7-[(5R)-2-oxidanylidene-5-[(E,3S)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]heptanoate Openeye Name: methyl 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanoate CAS Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxo-1-pyrrolidinyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoate Traditional Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-pyrrolidino]enanthic acid methyl ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCN1C(CCC1=O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCCCCCN1[C@H](CCC1=O)/C=C/[C@H](CC2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO4/c1-27-22(26)11-7-2-3-8-16-23-19(13-15-21(23)25)12-14-20(24)17-18-9-5-4-6-10-18/h4-6,9-10,12,14,19-20,24H,2-3,7-8,11,13,15-17H2,1H3/b14-12+/t19-,20+/m0/s1