[1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-bromo-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-8-ethyl-cinchoninic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C35H30BrNO5 MolecularWeight: 624.5204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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