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

Systemtic Name: 4-[(4-methyl-2-oxidanylidene-6-phenyl-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Openeye Name: 4-[(5-benzyloxycarbonyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid CAS Name: 4-[(4-methyl-2-oxo-6-phenyl-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(4-methyl-2-oxo-6-phenyl-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Traditional Name: 4-[(5-carbobenzoxy-2-keto-4-methyl-6-phenyl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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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)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5/c1-18-23(26(32)34-17-20-8-4-2-5-9-20)24(21-10-6-3-7-11-21)28-27(33)29(18)16-19-12-14-22(15-13-19)25(30)31/h2-15,24H,16-17H2,1H3,(H,28,33)(H,30,31)