4-[[1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-(3,5-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-(3,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-(3,5-dimethylphenyl)-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H21NO4/c1-13-7-14(2)9-17(8-13)21-11-15(10-19(21)22)12-25-18-5-3-16(4-6-18)20(23)24/h3-9,15H,10-12H2,1-2H3,(H,23,24)