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

Systemtic Name: hexyl (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate Openeye Name: hexyl (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-3-phenylpropanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-(ethoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(carbethoxyamino)-3-phenyl-propionic acid hexyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-3-5-6-10-13-23-17(20)16(19-18(21)22-4-2)14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,21)/t16-/m0/s1