methyl 2-[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzoate CAS Name: 2-[[3-(3,4-dimethylanilino)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzoate Traditional Name: 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C22H26N2O3/c1-15-10-11-17(13-16(15)2)23-18-7-6-12-24(14-18)21(25)19-8-4-5-9-20(19)22(26)27-3/h4-5,8-11,13,18,23H,6-7,12,14H2,1-3H3