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

Systemtic Name: 4-[2-[2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-3-4-5-14-22(2,27)15-12-19-10-11-20(24)23(19)16-13-17-6-8-18(9-7-17)21(25)26/h6-9,12,15,19,27H,3-5,10-11,13-14,16H2,1-2H3,(H,25,26)/b15-12+