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

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 4-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 4-(4-bromo-3-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(4-bromo-3-chloro-2-methylanilino)-4-oxobutanoic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 4-(4-bromo-3-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(4-bromo-3-chloro-2-methyl-anilino)-4-keto-butyric acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C26H23BrClNO5 MolecularWeight: 544.82152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)Br)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1Cl)Br)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H23BrClNO5/c1-17-22(12-11-21(27)26(17)28)29-24(31)13-14-25(32)34-16-23(30)19-7-9-20(10-8-19)33-15-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,29,31)