octyl (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: octyl (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate Openeye Name: octyl (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-3-phenylpropanoic acid octyl ester IUPAC Name: octyl (2S)-2-(ethoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(carbethoxyamino)-3-phenyl-propionic acid octyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC

Isomeric SMILES

CCCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC

InChI

InChI=1S/C20H31NO4/c1-3-5-6-7-8-12-15-25-19(22)18(21-20(23)24-4-2)16-17-13-10-9-11-14-17/h9-11,13-14,18H,3-8,12,15-16H2,1-2H3,(H,21,23)/t18-/m0/s1