methyl (2S,3R)-3-azanyl-8-chloranyl-2-phenyl-octanoate

Systemtic Name: methyl (2S,3R)-3-azanyl-8-chloranyl-2-phenyl-octanoate Openeye Name: methyl (2S,3R)-3-amino-8-chloro-2-phenyl-octanoate CAS Name: (2S,3R)-3-amino-8-chloro-2-phenyloctanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-amino-8-chloro-2-phenyloctanoate Traditional Name: (2S,3R)-3-amino-8-chloro-2-phenyl-caprylic acid methyl ester Formula: C15H22ClNO2 MolecularWeight: 283.79368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)C(CCCCCCl)N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)[C@@H](CCCCCCl)N

InChI

InChI=1S/C15H22ClNO2/c1-19-15(18)14(12-8-4-2-5-9-12)13(17)10-6-3-7-11-16/h2,4-5,8-9,13-14H,3,6-7,10-11,17H2,1H3/t13-,14+/m1/s1