[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)OC)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C18H18BrNO4/c1-12(17(21)20-11-13-6-4-3-5-7-13)24-18(22)15-10-14(23-2)8-9-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,21)