(3-ethoxycarbonylphenyl)methyl 6-bromanyl-3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (3-ethoxycarbonylphenyl)methyl 6-bromanyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-phenyl-4-quinolinecarboxylic acid (3-ethoxycarbonylphenyl)methyl ester IUPAC Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-phenyl-cinchoninic acid (3-carbethoxybenzyl) ester Formula: C27H22BrNO4 MolecularWeight: 504.37188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=C3C=C(C=CC3=NC(=C2C)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=C3C=C(C=CC3=NC(=C2C)C4=CC=CC=C4)Br

InChI

InChI=1S/C27H22BrNO4/c1-3-32-26(30)20-11-7-8-18(14-20)16-33-27(31)24-17(2)25(19-9-5-4-6-10-19)29-23-13-12-21(28)15-22(23)24/h4-15H,3,16H2,1-2H3