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

Systemtic Name: 4-[2-[2-[(Z)-5-methyl-3-oxidanyl-hex-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(Z)-3-hydroxy-5-methyl-hex-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(Z)-3-hydroxy-5-methylhex-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(Z)-3-hydroxy-5-methylhex-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(Z)-3-hydroxy-5-methyl-hex-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-14(2)13-18(22)9-7-17-8-10-19(23)21(17)12-11-15-3-5-16(6-4-15)20(24)25/h3-7,9,14,17-18,22H,8,10-13H2,1-2H3,(H,24,25)/b9-7-