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

Systemtic Name: propyl 4-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O5/c1-2-13-32-27(31)17-7-10-19(11-8-17)28-26(30)21-15-23(29-22-6-4-3-5-20(21)22)18-9-12-24-25(14-18)34-16-33-24/h3-12,14-15H,2,13,16H2,1H3,(H,28,30)