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

Systemtic Name: 4-[2-[2-[(E)-4-methyl-3-oxidanyl-pent-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(E)-3-hydroxy-4-methyl-pent-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(E)-3-hydroxy-4-methylpent-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(E)-3-hydroxy-4-methylpent-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(E)-3-hydroxy-4-methyl-pent-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4/c1-13(2)17(21)9-7-16-8-10-18(22)20(16)12-11-14-3-5-15(6-4-14)19(23)24/h3-7,9,13,16-17,21H,8,10-12H2,1-2H3,(H,23,24)/b9-7+