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

Systemtic Name: 2-methoxy-3-[5-oxidanylidene-1-(4-pentylphenyl)pyrrolidin-3-yl]benzoic acid Openeye Name: 2-methoxy-3-[5-oxo-1-(4-pentylphenyl)pyrrolidin-3-yl]benzoic acid CAS Name: 2-methoxy-3-[5-oxo-1-(4-pentylphenyl)-3-pyrrolidinyl]benzoic acid IUPAC Name: 2-methoxy-3-[5-oxo-1-(4-pentylphenyl)pyrrolidin-3-yl]benzoic acid Traditional Name: 3-[1-(4-amylphenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

InChI

InChI=1S/C23H27NO4/c1-3-4-5-7-16-10-12-18(13-11-16)24-15-17(14-21(24)25)19-8-6-9-20(23(26)27)22(19)28-2/h6,8-13,17H,3-5,7,14-15H2,1-2H3,(H,26,27)