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

Systemtic Name: (3-ethoxycarbonylphenyl)methyl 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid (3-ethoxycarbonylphenyl)methyl ester IUPAC Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid (3-carbethoxybenzyl) ester Formula: C26H19BrClNO4 MolecularWeight: 524.79036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H19BrClNO4/c1-2-32-25(30)18-5-3-4-16(12-18)15-33-26(31)22-14-24(17-6-9-20(28)10-7-17)29-23-11-8-19(27)13-21(22)23/h3-14H,2,15H2,1H3