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

Systemtic Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-6-(3-fluorophenyl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-1-piperidyl)methyl]-6-(3-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-1-piperidinyl)methyl]-6-(3-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-6-(3-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(3-carbethoxypiperidino)methyl]-6-(3-fluorophenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H30FN3O5 MolecularWeight: 447.499803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C23H30FN3O5/c1-4-31-21(28)16-9-7-11-27(13-16)14-18-19(22(29)32-5-2)20(25-23(30)26(18)3)15-8-6-10-17(24)12-15/h6,8,10,12,16,20H,4-5,7,9,11,13-14H2,1-3H3,(H,25,30)