4-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-oxopyrimidine-5-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-cyclopropyl-6-keto-1-o-anisyl-pyrimidine-5-carboxylic acid Formula: C23H20N2O6 MolecularWeight: 420.4147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=NC(=C(C2=O)C(=O)O)C3=CC4=C(C=C3)OCO4)C5CC5

Isomeric SMILES

COC1=CC=CC=C1CN2C(=NC(=C(C2=O)C(=O)O)C3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C23H20N2O6/c1-29-16-5-3-2-4-15(16)11-25-21(13-6-7-13)24-20(19(22(25)26)23(27)28)14-8-9-17-18(10-14)31-12-30-17/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,27,28)