4-[2-[2-[(E)-7-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[(E)-7-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(E)-3-hydroxy-7-methyl-oct-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(E)-3-hydroxy-7-methyloct-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(E)-3-hydroxy-7-methyloct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(E)-3-hydroxy-7-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-16(2)4-3-5-20(24)12-10-19-11-13-21(25)23(19)15-14-17-6-8-18(9-7-17)22(26)27/h6-10,12,16,19-20,24H,3-5,11,13-15H2,1-2H3,(H,26,27)/b12-10+