[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c19-14-8-9-16(21)15(11-14)18(23)24-12-17(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,21H,4,7,10,12H2,(H,20,22)