[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-bromanylbenzoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-bromanylbenzoate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrNO4/c1-12(24-18(22)15-5-3-4-6-16(15)19)17(21)20-11-13-7-9-14(23-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1