ethyl (3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(o-tolylmethylamino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[(2-methylbenzyl)amino]ethyl]nipecotic acid ethyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NCC2=CC=CC=C2C

InChI

InChI=1S/C18H26N2O3/c1-3-23-18(22)16-9-6-10-20(12-16)13-17(21)19-11-15-8-5-4-7-14(15)2/h4-5,7-8,16H,3,6,9-13H2,1-2H3,(H,19,21)/t16-/m0/s1