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

Systemtic Name: 3-[1-(4-hexylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid Openeye Name: 3-[1-(4-hexylphenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 3-[1-(4-hexylphenyl)-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 3-[1-(4-hexylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 3-[1-(4-hexylphenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

InChI

InChI=1S/C24H29NO4/c1-3-4-5-6-8-17-11-13-19(14-12-17)25-16-18(15-22(25)26)20-9-7-10-21(24(27)28)23(20)29-2/h7,9-14,18H,3-6,8,15-16H2,1-2H3,(H,27,28)