4-[[[6-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrimidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[6-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrimidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[6-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[6-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-pyrimidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-(piperonylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N4O6/c27-20(23-9-13-1-4-15(5-2-13)22(29)30)16-8-17(26-11-25-16)21(28)24-10-14-3-6-18-19(7-14)32-12-31-18/h1-8,11H,9-10,12H2,(H,23,27)(H,24,28)(H,29,30)