ethyl 4-methyl-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzyl-1-piperidyl)-4-methyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-[4-(phenylmethyl)-1-piperidinyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperidino)-4-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O2 MolecularWeight: 339.4314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-3-25-19(24)18-14-21-20(22-15(18)2)23-11-9-17(10-12-23)13-16-7-5-4-6-8-16/h4-8,14,17H,3,9-13H2,1-2H3