[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C22H24BrNO5/c1-16(25)24-12-11-17-7-9-18(10-8-17)21(26)15-29-22(27)6-3-13-28-20-5-2-4-19(23)14-20/h2,4-5,7-10,14H,3,6,11-13,15H2,1H3,(H,24,25)