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

Systemtic Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-6-(2-methylphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-1-piperidyl)methyl]-3-ethyl-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-1-piperidinyl)methyl]-3-ethyl-6-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-6-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(3-carbethoxypiperidino)methyl]-3-ethyl-2-keto-6-(o-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=C2C)C(=O)OCC)CN3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C)C(=O)OCC)CN3CCCC(C3)C(=O)OCC

InChI

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