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

Systemtic Name: 4-[2-[2-[(Z)-6-methyl-3-oxidanyl-hept-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(Z)-3-hydroxy-6-methyl-hept-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(Z)-3-hydroxy-6-methylhept-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(Z)-3-hydroxy-6-methylhept-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(Z)-3-hydroxy-6-methyl-hept-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-15(2)3-10-19(23)11-8-18-9-12-20(24)22(18)14-13-16-4-6-17(7-5-16)21(25)26/h4-8,11,15,18-19,23H,3,9-10,12-14H2,1-2H3,(H,25,26)/b11-8-