[2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromo-5-chloro-2-methyl-anilino)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3-methyl-cinchoninic acid [2-(4-bromo-5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C33H26BrClN2O4 MolecularWeight: 629.92754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C)Cl)Br

InChI

InChI=1S/C33H26BrClN2O4/c1-20-16-26(34)27(35)17-29(20)36-30(38)19-41-33(39)31-21(2)32(37-28-11-7-6-10-25(28)31)23-12-14-24(15-13-23)40-18-22-8-4-3-5-9-22/h3-17H,18-19H2,1-2H3,(H,36,38)