2-[4-(3-chlorophenyl)-6-methyl-5-[[(E)-3-phenylprop-2-enyl]carbamoyl]-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(3-chlorophenyl)-6-methyl-5-[[(E)-3-phenylprop-2-enyl]carbamoyl]-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(3-chlorophenyl)-5-[[(E)-cinnamyl]carbamoyl]-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxo-acetic acid CAS Name: 2-[4-(3-chlorophenyl)-6-methyl-5-[oxo-[[(E)-3-phenylprop-2-enyl]amino]methyl]-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[4-(3-chlorophenyl)-6-methyl-5-[[(E)-3-phenylprop-2-enyl]carbamoyl]-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxoacetic acid Traditional Name: 2-[4-(3-chlorophenyl)-5-[[(E)-cinnamyl]carbamoyl]-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl]-2-keto-acetic acid Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(CN1)C(=O)C(=O)O)C2=CC(=CC=C2)Cl)C(=O)NCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(N(CN1)C(=O)C(=O)O)C2=CC(=CC=C2)Cl)C(=O)NC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H22ClN3O4/c1-15-19(21(28)25-12-6-9-16-7-3-2-4-8-16)20(17-10-5-11-18(24)13-17)27(14-26-15)22(29)23(30)31/h2-11,13,20,26H,12,14H2,1H3,(H,25,28)(H,30,31)/b9-6+