4-[6-(4-cyanophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[6-(4-cyanophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-6-(4-cyanophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(4-cyanophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(4-cyanophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-6-(4-cyanophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O5/c1-16-21(23(30)32-15-18-6-3-2-4-7-18)22(19-11-9-17(14-25)10-12-19)26-24(31)27(16)13-5-8-20(28)29/h2-4,6-7,9-12,22H,5,8,13,15H2,1H3,(H,26,31)(H,28,29)