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

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O5/c1-2-31-26(30)16-7-10-18(11-8-16)27-25(29)20-14-22(28-21-6-4-3-5-19(20)21)17-9-12-23-24(13-17)33-15-32-23/h3-14H,2,15H2,1H3,(H,27,29)