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

Systemtic Name: 4-[4-methyl-6-(2-naphthalen-2-ylsulfonyloxyphenyl)-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-6-[2-(2-naphthylsulfonyloxy)phenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-6-[2-(2-naphthalenylsulfonyloxy)phenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-methyl-6-(2-naphthalen-2-ylsulfonyloxyphenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-[2-(2-naphthylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C33H30N2O8S MolecularWeight: 614.6649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O8S/c1-22-30(32(38)42-21-23-10-3-2-4-11-23)31(34-33(39)35(22)19-9-16-29(36)37)27-14-7-8-15-28(27)43-44(40,41)26-18-17-24-12-5-6-13-25(24)20-26/h2-8,10-15,17-18,20,31H,9,16,19,21H2,1H3,(H,34,39)(H,36,37)