[2-acetamido-2-(acetyloxymethyl)-4-(4-bromanyl-2-chloranyl-phenyl)butyl] ethanoate

Systemtic Name: [2-acetamido-2-(acetyloxymethyl)-4-(4-bromanyl-2-chloranyl-phenyl)butyl] ethanoate Openeye Name: [2-acetamido-2-(acetoxymethyl)-4-(4-bromo-2-chloro-phenyl)butyl] acetate CAS Name: acetic acid [2-acetamido-2-(acetyloxymethyl)-4-(4-bromo-2-chlorophenyl)butyl] ester IUPAC Name: [2-acetamido-2-(acetyloxymethyl)-4-(4-bromo-2-chlorophenyl)butyl] acetate Traditional Name: acetic acid [2-acetamido-2-(acetoxymethyl)-4-(4-bromo-2-chloro-phenyl)butyl] ester Formula: C17H21BrClNO5 MolecularWeight: 434.70934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC1=C(C=C(C=C1)Br)Cl)(COC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)NC(CCC1=C(C=C(C=C1)Br)Cl)(COC(=O)C)COC(=O)C

InChI

InChI=1S/C17H21BrClNO5/c1-11(21)20-17(9-24-12(2)22,10-25-13(3)23)7-6-14-4-5-15(18)8-16(14)19/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,21)