[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H20BrNO4/c1-14(23)22-12-2-3-15-4-6-16(7-5-15)19(24)13-26-20(25)17-8-10-18(21)11-9-17/h4-11H,2-3,12-13H2,1H3,(H,22,23)