4-[[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-methoxy-pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-methoxy-pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-methoxy-pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-6-methoxy-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-methoxypyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-methoxy-6-(piperonylcarbamoyl)isonicotinoyl]amino]methyl]benzoic acid Formula: C24H21N3O7 MolecularWeight: 463.43944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H21N3O7/c1-32-21-10-17(22(28)25-11-14-2-5-16(6-3-14)24(30)31)9-18(27-21)23(29)26-12-15-4-7-19-20(8-15)34-13-33-19/h2-10H,11-13H2,1H3,(H,25,28)(H,26,29)(H,30,31)