[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-8-ethyl-3-methyl-cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C35H30BrNO5 MolecularWeight: 624.5204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C35H30BrNO5/c1-4-24-17-27(36)19-30-32(35(39)42-21-31(38)26-11-8-12-29(18-26)40-3)22(2)33(37-34(24)30)25-13-15-28(16-14-25)41-20-23-9-6-5-7-10-23/h5-19H,4,20-21H2,1-3H3