[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-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-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-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-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C34H27BrClNO4 MolecularWeight: 628.93948

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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(=CC=C5)Cl

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(=CC=C5)Cl

InChI

InChI=1S/C34H27BrClNO4/c1-3-23-16-26(35)18-29-30(34(39)41-21(2)33(38)25-10-7-11-27(36)17-25)19-31(37-32(23)29)24-12-14-28(15-13-24)40-20-22-8-5-4-6-9-22/h4-19,21H,3,20H2,1-2H3