[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCOC2=CC=CC=C2)Br

InChI

InChI=1S/C19H20BrNO4/c1-14-9-10-15(12-17(14)20)21-18(22)13-25-19(23)8-5-11-24-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,22)