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

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

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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=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-13-17(20(26)28-2)18(15-6-4-3-5-7-15)22-21(27)23(13)12-14-8-10-16(11-9-14)19(24)25/h3-11,18H,12H2,1-2H3,(H,22,27)(H,24,25)