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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylphenoxy)propanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(4-acetylphenoxy)propanoate CAS Name: 3-(4-acetylphenoxy)propanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate Traditional Name: 3-(4-acetylphenoxy)propionic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCOC2=CC=C(C=C2)C(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCOC2=CC=C(C=C2)C(=O)C)Br

InChI

InChI=1S/C20H20BrNO5/c1-13-11-16(5-8-18(13)21)22-19(24)12-27-20(25)9-10-26-17-6-3-15(4-7-17)14(2)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)