ethyl (3S)-3-[(2-methylphenyl)methyl]-1-pyridin-2-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-pyridin-2-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(o-tolylmethyl)-1-(pyridine-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[oxo(2-pyridinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-picolinoyl-nipecotic acid ethyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=N2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=CC=N2)CC3=CC=CC=C3C

InChI

InChI=1S/C22H26N2O3/c1-3-27-21(26)22(15-18-10-5-4-9-17(18)2)12-8-14-24(16-22)20(25)19-11-6-7-13-23-19/h4-7,9-11,13H,3,8,12,14-16H2,1-2H3/t22-/m0/s1