[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-8-chloro-3-methyl-quinoline-4-carboxylate CAS Name: 8-chloro-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 8-chloro-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-8-chloro-3-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C32H23BrClNO4 MolecularWeight: 600.88632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1C(=O)OCC(=O)C3=CC=C(C=C3)Br)C=CC=C2Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C(=C1C(=O)OCC(=O)C3=CC=C(C=C3)Br)C=CC=C2Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H23BrClNO4/c1-20-29(32(37)39-19-28(36)22-10-14-24(33)15-11-22)26-8-5-9-27(34)31(26)35-30(20)23-12-16-25(17-13-23)38-18-21-6-3-2-4-7-21/h2-17H,18-19H2,1H3