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

Systemtic Name: (3-ethoxycarbonylphenyl)methyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (3-ethoxycarbonylphenyl)methyl ester IUPAC Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid (3-carbethoxybenzyl) ester Formula: C27H22BrNO5 MolecularWeight: 520.37128

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrNO5/c1-3-33-26(30)19-6-4-5-17(13-19)16-34-27(31)23-15-25(18-7-10-21(32-2)11-8-18)29-24-12-9-20(28)14-22(23)24/h4-15H,3,16H2,1-2H3