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

Systemtic Name: 4-[(4-methyl-6-naphthalen-1-yl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-4-methyl-6-(1-naphthyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-methyl-6-(1-naphthalenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[(4-methyl-6-naphthalen-1-yl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-2-keto-4-methyl-6-(1-naphthyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C31H26N2O5 MolecularWeight: 506.54854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O5/c1-20-27(30(36)38-19-22-8-3-2-4-9-22)28(26-13-7-11-23-10-5-6-12-25(23)26)32-31(37)33(20)18-21-14-16-24(17-15-21)29(34)35/h2-17,28H,18-19H2,1H3,(H,32,37)(H,34,35)