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

Systemtic Name: methyl 3-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[(3S)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzoate CAS Name: 3-[[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzoate Traditional Name: 3-[(3S)-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=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)C(=O)OC)C

InChI

InChI=1S/C22H26N2O3/c1-15-9-10-19(12-16(15)2)23-20-8-5-11-24(14-20)21(25)17-6-4-7-18(13-17)22(26)27-3/h4,6-7,9-10,12-13,20,23H,5,8,11,14H2,1-3H3/t20-/m0/s1