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

Systemtic Name: [4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] 2-oxidanylidenebutanoate Openeye Name: [4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] 2-oxobutanoate CAS Name: 2-oxobutanoic acid [4-(3-chlorophenyl)-5-[(3,3-diphenylpropylamino)-oxomethyl]-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] ester IUPAC Name: [4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] 2-oxobutanoate Traditional Name: 2-ketobutyric acid [4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl] ester Formula: C31H32ClN3O4 MolecularWeight: 546.05648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)ON1CNC(=C(C1C2=CC(=CC=C2)Cl)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)C(=O)ON1CNC(=C(C1C2=CC(=CC=C2)Cl)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C31H32ClN3O4/c1-3-27(36)31(38)39-35-20-34-21(2)28(29(35)24-15-10-16-25(32)19-24)30(37)33-18-17-26(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-16,19,26,29,34H,3,17-18,20H2,1-2H3,(H,33,37)