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

Systemtic Name: (phenylmethyl) 4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-3-(4-phenylbutylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 4-(3-chlorophenyl)-6-methyl-2-oxo-3-(4-phenylbutylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-[oxo-(4-phenylbutylamino)methyl]-1,4-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-chlorophenyl)-6-methyl-2-oxo-3-(4-phenylbutylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-keto-6-methyl-3-(4-phenylbutylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C30H30ClN3O4 MolecularWeight: 532.0299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H30ClN3O4/c1-21-26(28(35)38-20-23-14-6-3-7-15-23)27(24-16-10-17-25(31)19-24)34(30(37)33-21)29(36)32-18-9-8-13-22-11-4-2-5-12-22/h2-7,10-12,14-17,19,27H,8-9,13,18,20H2,1H3,(H,32,36)(H,33,37)