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

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 6-bromo-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 6-bromo-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-phenyl-cinchoninic acid 1-benzoylbutyl ester Formula: C29H26BrNO3 MolecularWeight: 516.42564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26BrNO3/c1-4-11-24(28(32)21-14-9-6-10-15-21)34-29(33)25-19(3)27(20-12-7-5-8-13-20)31-26-18(2)16-22(30)17-23(25)26/h5-10,12-17,24H,4,11H2,1-3H3