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

Systemtic Name: 4-[[5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-ethoxycarbonyl-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-ethoxycarbonyl-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-ethoxycarbonyl-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbethoxy-2-keto-4-methyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C28H26N2O5/c1-3-35-27(33)24-18(2)30(17-19-9-11-23(12-10-19)26(31)32)28(34)29-25(24)22-15-13-21(14-16-22)20-7-5-4-6-8-20/h4-16,25H,3,17H2,1-2H3,(H,29,34)(H,31,32)