4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-3-[[(E)-3-phenylprop-2-enyl]carbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-3-[[(E)-3-phenylprop-2-enyl]carbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-3-[[(E)-cinnamyl]carbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-[oxo-[[(E)-3-phenylprop-2-enyl]amino]methyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-[[(E)-3-phenylprop-2-enyl]carbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-3-[[(E)-cinnamyl]carbamoyl]-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCC=CC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C22H20ClN3O4/c1-14-18(20(27)28)19(16-10-5-11-17(23)13-16)26(22(30)25-14)21(29)24-12-6-9-15-7-3-2-4-8-15/h2-11,13,19H,12H2,1H3,(H,24,29)(H,25,30)(H,27,28)/b9-6+