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

Systemtic Name: 4-[6-[2-(3-iodanylphenyl)carbonyloxyphenyl]-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-6-[2-(3-iodobenzoyl)oxyphenyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-[2-[(3-iodophenyl)-oxomethoxy]phenyl]-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-[2-(3-iodobenzoyl)oxyphenyl]-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-6-[2-(3-iodobenzoyl)oxyphenyl]-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C30H27IN2O7 MolecularWeight: 654.44905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)I)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)I)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H27IN2O7/c1-19-26(29(37)39-18-20-9-3-2-4-10-20)27(32-30(38)33(19)16-8-15-25(34)35)23-13-5-6-14-24(23)40-28(36)21-11-7-12-22(31)17-21/h2-7,9-14,17,27H,8,15-16,18H2,1H3,(H,32,38)(H,34,35)