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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

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