ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-acetamidophenyl)methyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(4-acetamidobenzyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)NC(=O)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CC=C(C=C2)NC(=O)C)CC3=CC=CC=C3C

InChI

InChI=1S/C25H32N2O3/c1-4-30-24(29)25(16-22-9-6-5-8-19(22)2)14-7-15-27(18-25)17-21-10-12-23(13-11-21)26-20(3)28/h5-6,8-13H,4,7,14-18H2,1-3H3,(H,26,28)/t25-/m0/s1