[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C27H23BrN2O6 MolecularWeight: 551.38532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C27H23BrN2O6/c1-33-23-12-16(13-24(34-2)26(23)35-3)22-14-18(17-8-4-6-10-20(17)29-22)27(32)36-15-25(31)30-21-11-7-5-9-19(21)28/h4-14H,15H2,1-3H3,(H,30,31)