3-[1-(4-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid

Systemtic Name: 3-[1-(4-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid Openeye Name: 3-[1-(4-butylphenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 3-[1-(4-butylphenyl)-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 3-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 3-[1-(4-butylphenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

InChI

InChI=1S/C22H25NO4/c1-3-4-6-15-9-11-17(12-10-15)23-14-16(13-20(23)24)18-7-5-8-19(22(25)26)21(18)27-2/h5,7-12,16H,3-4,6,13-14H2,1-2H3,(H,25,26)