[4-(3-chlorophenyl)-5-(ethylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] 2-oxidanylidenebutanoate

Systemtic Name: [4-(3-chlorophenyl)-5-(ethylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] 2-oxidanylidenebutanoate Openeye Name: [4-(3-chlorophenyl)-5-(ethylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] 2-oxobutanoate CAS Name: 2-oxobutanoic acid [4-(3-chlorophenyl)-5-(ethylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] ester IUPAC Name: [4-(3-chlorophenyl)-5-(ethylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] 2-oxobutanoate Traditional Name: 2-ketobutyric acid [4-(3-chlorophenyl)-5-(ethylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)ON1CNC(=C(C1C2=CC(=CC=C2)Cl)C(=O)NCC)C

Isomeric SMILES

CCC(=O)C(=O)ON1CNC(=C(C1C2=CC(=CC=C2)Cl)C(=O)NCC)C

InChI

InChI=1S/C18H22ClN3O4/c1-4-14(23)18(25)26-22-10-21-11(3)15(17(24)20-5-2)16(22)12-7-6-8-13(19)9-12/h6-9,16,21H,4-5,10H2,1-3H3,(H,20,24)