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

Systemtic Name: ethyl 3-ethyl-4-[(4-methylpiperidin-1-yl)methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[(4-methyl-1-piperidyl)methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[(4-methyl-1-piperidinyl)methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[(4-methylpiperidin-1-yl)methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[(4-methylpiperidino)methyl]-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCC(CC4)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCC(CC4)C

InChI

InChI=1S/C28H35N3O4/c1-4-31-24(19-30-16-14-20(3)15-17-30)25(27(32)34-5-2)26(29-28(31)33)21-10-9-13-23(18-21)35-22-11-7-6-8-12-22/h6-13,18,20,26H,4-5,14-17,19H2,1-3H3,(H,29,33)