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

Systemtic Name: ethyl 1-[2-[4-(4-methylphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[6-oxo-4-(p-tolyl)pyrimidin-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(4-methylphenyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[6-keto-4-(p-tolyl)pyrimidin-1-yl]acetyl]isonipecotic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC(=CC2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC(=CC2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4/c1-3-28-21(27)17-8-10-23(11-9-17)20(26)13-24-14-22-18(12-19(24)25)16-6-4-15(2)5-7-16/h4-7,12,14,17H,3,8-11,13H2,1-2H3