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

Systemtic Name: 2-[4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxo-acetic acid CAS Name: 2-[4-(3-chlorophenyl)-5-[(3,3-diphenylpropylamino)-oxomethyl]-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl]-2-oxoacetic acid Traditional Name: 2-[4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2,4-dihydro-1H-pyrimidin-3-yl]-2-keto-acetic acid Formula: C29H28ClN3O4 MolecularWeight: 518.00332

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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)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(N(CN1)C(=O)C(=O)O)C2=CC(=CC=C2)Cl)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28ClN3O4/c1-19-25(26(22-13-8-14-23(30)17-22)33(18-32-19)28(35)29(36)37)27(34)31-16-15-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,24,26,32H,15-16,18H2,1H3,(H,31,34)(H,36,37)