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

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

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