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

Systemtic Name: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

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