4-[2-[2-[(Z)-6-methoxy-3-oxidanyl-hex-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[(Z)-6-methoxy-3-oxidanyl-hex-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(Z)-3-hydroxy-6-methoxy-hex-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(Z)-3-hydroxy-6-methoxyhex-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(Z)-3-hydroxy-6-methoxyhex-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(Z)-3-hydroxy-6-methoxy-hex-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC(C=CC1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

COCCCC(/C=C\C1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C20H27NO5/c1-26-14-2-3-18(22)10-8-17-9-11-19(23)21(17)13-12-15-4-6-16(7-5-15)20(24)25/h4-8,10,17-18,22H,2-3,9,11-14H2,1H3,(H,24,25)/b10-8-