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

Systemtic Name: methyl 4-[4-(3,3-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)-2-methyl-phenyl]benzoate Openeye Name: methyl 4-[4-(3,3-dimethyl-2-oxo-pyrrolidin-1-yl)-2-methyl-phenyl]benzoate CAS Name: 4-[4-(3,3-dimethyl-2-oxo-1-pyrrolidinyl)-2-methylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-methylphenyl]benzoate Traditional Name: 4-[4-(2-keto-3,3-dimethyl-pyrrolidino)-2-methyl-phenyl]benzoic acid methyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-14-13-17(22-12-11-21(2,3)20(22)24)9-10-18(14)15-5-7-16(8-6-15)19(23)25-4/h5-10,13H,11-12H2,1-4H3