[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-7-chloro-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-3,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-7-chloro-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7-chloro-3,8-dimethyl-cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C34H27BrClNO5 MolecularWeight: 644.93888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C(=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C)Cl)Br)C(=O)OCC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=C(C2=CC(=C(C(=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C)Cl)Br)C(=O)OCC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C34H27BrClNO5/c1-20-30(34(39)42-19-29(38)24-10-7-11-26(16-24)40-3)27-17-28(35)31(36)21(2)33(27)37-32(20)23-12-14-25(15-13-23)41-18-22-8-5-4-6-9-22/h4-17H,18-19H2,1-3H3