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

Systemtic Name: 4-[(4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-pyridin-2-yl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-4-methyl-2-oxo-6-(2-pyridyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(2-pyridinyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[(4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-pyridin-2-yl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-2-keto-4-methyl-6-(2-pyridyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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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=CC=N3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=N3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O5/c1-17-22(25(32)34-16-19-7-3-2-4-8-19)23(21-9-5-6-14-27-21)28-26(33)29(17)15-18-10-12-20(13-11-18)24(30)31/h2-14,23H,15-16H2,1H3,(H,28,33)(H,30,31)