methyl 4-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18N2O5/c1-30-25(29)15-6-9-17(10-7-15)26-24(28)19-13-21(27-20-5-3-2-4-18(19)20)16-8-11-22-23(12-16)32-14-31-22/h2-13H,14H2,1H3,(H,26,28)