ethyl 1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[2-(3-methylphenyl)-5-pyrimidinyl]methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]isonipecotic acid ethyl ester Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC(=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC(=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-3-32-26(31)27(17-22-9-5-4-6-10-22)12-14-30(15-13-27)20-23-18-28-25(29-19-23)24-11-7-8-21(2)16-24/h4-11,16,18-19H,3,12-15,17,20H2,1-2H3