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

Systemtic Name: 4-[2-[2-[(Z)-5,5-dimethyl-3-oxidanyl-hex-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(Z)-3-hydroxy-5,5-dimethyl-hex-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(Z)-3-hydroxy-5,5-dimethylhex-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(Z)-3-hydroxy-5,5-dimethylhex-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(Z)-3-hydroxy-5,5-dimethyl-hex-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)(C)CC(C=CC1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-21(2,3)14-18(23)10-8-17-9-11-19(24)22(17)13-12-15-4-6-16(7-5-15)20(25)26/h4-8,10,17-18,23H,9,11-14H2,1-3H3,(H,25,26)/b10-8-