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

Systemtic Name: 6-[6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[6-(1,3-benzodioxol-5-yl)-5-benzyloxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[6-(1,3-benzodioxol-5-yl)-5-carbobenzoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O7/c1-17-23(25(31)33-15-18-8-4-2-5-9-18)24(19-11-12-20-21(14-19)35-16-34-20)27-26(32)28(17)13-7-3-6-10-22(29)30/h2,4-5,8-9,11-12,14,24H,3,6-7,10,13,15-16H2,1H3,(H,27,32)(H,29,30)