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

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C21H22BrNO5/c1-13-5-8-19(27-3)15(10-13)18(24)7-9-21(26)28-12-20(25)23-17-6-4-14(2)11-16(17)22/h4-6,8,10-11H,7,9,12H2,1-3H3,(H,23,25)