(phenylmethyl) (3S,5S)-3-(4-bromanylbutyl)-2-oxidanylidene-5-phenyl-morpholine-4-carboxylate

Systemtic Name: (phenylmethyl) (3S,5S)-3-(4-bromanylbutyl)-2-oxidanylidene-5-phenyl-morpholine-4-carboxylate Openeye Name: benzyl (3S,5S)-3-(4-bromobutyl)-2-oxo-5-phenyl-morpholine-4-carboxylate CAS Name: (3S,5S)-3-(4-bromobutyl)-2-oxo-5-phenyl-4-morpholinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,5S)-3-(4-bromobutyl)-2-oxo-5-phenylmorpholine-4-carboxylate Traditional Name: (3S,5S)-3-(4-bromobutyl)-2-keto-5-phenyl-morpholine-4-carboxylic acid benzyl ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C(=O)O1)CCCCBr)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H](N([C@H](C(=O)O1)CCCCBr)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24BrNO4/c23-14-8-7-13-19-21(25)27-16-20(18-11-5-2-6-12-18)24(19)22(26)28-15-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-,20+/m0/s1