[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC)C

InChI

InChI=1S/C22H24BrNO5/c1-4-15-7-5-6-14(2)22(15)24-20(26)13-29-21(27)11-9-18(25)17-12-16(23)8-10-19(17)28-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,24,26)