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

Systemtic Name: 4-(5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidin-3-yl)benzoic acid Openeye Name: 4-(5-ethoxycarbonyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-3-yl)benzoic acid CAS Name: 4-(5-ethoxycarbonyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-3-yl)benzoic acid IUPAC Name: 4-(5-ethoxycarbonyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-3-yl)benzoic acid Traditional Name: 4-(5-carbethoxy-2-keto-4-methyl-6-phenyl-1,6-dihydropyrimidin-3-yl)benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-3-28-20(26)17-13(2)23(16-11-9-15(10-12-16)19(24)25)21(27)22-18(17)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H,22,27)(H,24,25)