ethyl 1-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]-6-phenethyl-pyrimidin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]-6-phenethyl-pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-[2-oxo-2-(p-tolyl)ethoxy]-6-phenethyl-pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: 1-[4-[2-(4-methylphenyl)-2-oxoethoxy]-6-phenethyl-2-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[2-(4-methylphenyl)-2-oxoethoxy]-6-phenethylpyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[4-[2-keto-2-(p-tolyl)ethoxy]-6-phenethyl-pyrimidin-2-yl]nipecotic acid ethyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=CC(=N2)OCC(=O)C3=CC=C(C=C3)C)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC(=CC(=N2)OCC(=O)C3=CC=C(C=C3)C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-3-35-28(34)24-10-7-17-32(19-24)29-30-25(16-13-22-8-5-4-6-9-22)18-27(31-29)36-20-26(33)23-14-11-21(2)12-15-23/h4-6,8-9,11-12,14-15,18,24H,3,7,10,13,16-17,19-20H2,1-2H3