methyl (2S,3R)-2-[(1R)-1-oxidanylethyl]-3-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl (2S,3R)-2-[(1R)-1-oxidanylethyl]-3-[(phenylmethyl)amino]butanoate Openeye Name: methyl (2S,3R)-2-[(1R)-1-(benzylamino)ethyl]-3-hydroxy-butanoate CAS Name: (2S,3R)-2-[(1R)-1-hydroxyethyl]-3-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[(1R)-1-(benzylamino)ethyl]-3-hydroxybutanoate Traditional Name: (2S,3R)-2-[(1R)-1-(benzylamino)ethyl]-3-hydroxy-butyric acid methyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-10(13(11(2)16)14(17)18-3)15-9-12-7-5-4-6-8-12/h4-8,10-11,13,15-16H,9H2,1-3H3/t10-,11-,13+/m1/s1