6-[6-[2-(4-iodophenyl)carbonyloxyphenyl]-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid

Systemtic Name: 6-[6-[2-(4-iodophenyl)carbonyloxyphenyl]-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-6-[2-(4-iodobenzoyl)oxyphenyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-[2-[(4-iodophenyl)-oxomethoxy]phenyl]-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-[2-(4-iodobenzoyl)oxyphenyl]-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbobenzoxy-6-[2-(4-iodobenzoyl)oxyphenyl]-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C32H31IN2O7 MolecularWeight: 682.50221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)I)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)I)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H31IN2O7/c1-21-28(31(39)41-20-22-10-4-2-5-11-22)29(34-32(40)35(21)19-9-3-6-14-27(36)37)25-12-7-8-13-26(25)42-30(38)23-15-17-24(33)18-16-23/h2,4-5,7-8,10-13,15-18,29H,3,6,9,14,19-20H2,1H3,(H,34,40)(H,36,37)