(1-oxidanylidene-1-phenyl-pentan-2-yl) 6-bromanyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 6-bromanyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 6-bromo-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 6-bromo-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid 1-benzoylbutyl ester Formula: C29H26BrNO4 MolecularWeight: 532.42504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C29H26BrNO4/c1-4-9-26(28(32)19-10-6-5-7-11-19)35-29(33)24-17-25(20-12-8-13-22(15-20)34-3)31-27-18(2)14-21(30)16-23(24)27/h5-8,10-17,26H,4,9H2,1-3H3