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

Systemtic Name: [2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromo-2-chloro-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-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3-methyl-cinchoninic acid [2-(4-bromo-2-chloro-anilino)-2-keto-ethyl] ester Formula: C32H24BrClN2O4 MolecularWeight: 615.90096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)NC5=C(C=C(C=C5)Br)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)NC5=C(C=C(C=C5)Br)Cl

InChI

InChI=1S/C32H24BrClN2O4/c1-20-30(32(38)40-19-29(37)35-28-16-13-23(33)17-26(28)34)25-9-5-6-10-27(25)36-31(20)22-11-14-24(15-12-22)39-18-21-7-3-2-4-8-21/h2-17H,18-19H2,1H3,(H,35,37)