4-[4-(3,3-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)-2-methyl-phenyl]benzoic acid

Systemtic Name: 4-[4-(3,3-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)-2-methyl-phenyl]benzoic acid Openeye Name: 4-[4-(3,3-dimethyl-2-oxo-pyrrolidin-1-yl)-2-methyl-phenyl]benzoic acid CAS Name: 4-[4-(3,3-dimethyl-2-oxo-1-pyrrolidinyl)-2-methylphenyl]benzoic acid IUPAC Name: 4-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-methylphenyl]benzoic acid Traditional Name: 4-[4-(2-keto-3,3-dimethyl-pyrrolidino)-2-methyl-phenyl]benzoic acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C2=O)(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(C2=O)(C)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21NO3/c1-13-12-16(21-11-10-20(2,3)19(21)24)8-9-17(13)14-4-6-15(7-5-14)18(22)23/h4-9,12H,10-11H2,1-3H3,(H,22,23)