[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6-dimethyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C33H26BrNO4 MolecularWeight: 580.46784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C33H26BrNO4/c1-21-8-17-29-28(18-21)31(33(37)39-20-30(36)24-9-13-26(34)14-10-24)22(2)32(35-29)25-11-15-27(16-12-25)38-19-23-6-4-3-5-7-23/h3-18H,19-20H2,1-2H3