[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-bromanylbenzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C18H18BrNO3/c1-13(14-5-3-2-4-6-14)11-20-17(21)12-23-18(22)15-7-9-16(19)10-8-15/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m1/s1