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

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)-5-benzyloxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)-5-carbobenzoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O7/c1-15-21(23(29)31-13-16-6-3-2-4-7-16)22(17-9-10-18-19(12-17)33-14-32-18)25-24(30)26(15)11-5-8-20(27)28/h2-4,6-7,9-10,12,22H,5,8,11,13-14H2,1H3,(H,25,30)(H,27,28)