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

Systemtic Name: butyl 4-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O5/c1-2-3-14-33-28(32)18-8-11-20(12-9-18)29-27(31)22-16-24(30-23-7-5-4-6-21(22)23)19-10-13-25-26(15-19)35-17-34-25/h4-13,15-16H,2-3,14,17H2,1H3,(H,29,31)