[2-oxidanylidene-2-(phenethylamino)ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)Br

InChI

InChI=1S/C18H18BrNO4/c1-23-16-8-7-14(11-15(16)19)18(22)24-12-17(21)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)