(phenylmethyl) 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-chlorophenyl)-3-[(3,3-diphenylpropylamino)-oxomethyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C35H32ClN3O4 MolecularWeight: 594.09928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H32ClN3O4/c1-24-31(33(40)43-23-25-12-5-2-6-13-25)32(28-18-11-19-29(36)22-28)39(35(42)38-24)34(41)37-21-20-30(26-14-7-3-8-15-26)27-16-9-4-10-17-27/h2-19,22,30,32H,20-21,23H2,1H3,(H,37,41)(H,38,42)