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

Systemtic Name: 4-[[6-(4-cyanophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-6-(4-cyanophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(4-cyanophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(4-cyanophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-6-(4-cyanophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C28H23N3O5 MolecularWeight: 481.49932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H23N3O5/c1-18-24(27(34)36-17-21-5-3-2-4-6-21)25(22-11-7-19(15-29)8-12-22)30-28(35)31(18)16-20-9-13-23(14-10-20)26(32)33/h2-14,25H,16-17H2,1H3,(H,30,35)(H,32,33)