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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromo-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-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3-methyl-cinchoninic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C33H27BrN2O4 MolecularWeight: 595.48248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C33H27BrN2O4/c1-21-18-25(34)14-17-28(21)35-30(37)20-40-33(38)31-22(2)32(36-29-11-7-6-10-27(29)31)24-12-15-26(16-13-24)39-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,35,37)