ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-6-(3-methylphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-6-(3-methylphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-1-piperidyl)methyl]-3-ethyl-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-1-piperidinyl)methyl]-3-ethyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(3-carbethoxypiperidino)methyl]-3-ethyl-2-keto-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)C)C(=O)OCC)CN3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)C)C(=O)OCC)CN3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C25H35N3O5/c1-5-28-20(16-27-13-9-12-19(15-27)23(29)32-6-2)21(24(30)33-7-3)22(26-25(28)31)18-11-8-10-17(4)14-18/h8,10-11,14,19,22H,5-7,9,12-13,15-16H2,1-4H3,(H,26,31)