pentyl 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinolin-4-yl]carbonylamino]benzoate

Systemtic Name: pentyl 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinolin-4-yl]carbonylamino]benzoate Openeye Name: pentyl 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-bromophenyl)-6,8-dimethyl-4-quinolinyl]-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-(4-bromophenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carbonyl]amino]benzoic acid amyl ester Formula: C30H29BrN2O3 MolecularWeight: 545.46686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C30H29BrN2O3/c1-4-5-6-15-36-30(35)22-9-13-24(14-10-22)32-29(34)26-18-27(21-7-11-23(31)12-8-21)33-28-20(3)16-19(2)17-25(26)28/h7-14,16-18H,4-6,15H2,1-3H3,(H,32,34)