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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)cinchoninic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C32H25BrN2O4 MolecularWeight: 581.4559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H25BrN2O4/c1-21-17-24(33)13-16-28(21)35-31(36)20-39-32(37)27-18-30(34-29-10-6-5-9-26(27)29)23-11-14-25(15-12-23)38-19-22-7-3-2-4-8-22/h2-18H,19-20H2,1H3,(H,35,36)