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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O5/c1-31-26(30)24(16-7-3-2-4-8-16)28-25(29)19-14-21(27-20-10-6-5-9-18(19)20)17-11-12-22-23(13-17)33-15-32-22/h2-14,24H,15H2,1H3,(H,28,29)