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

Systemtic Name: hexyl (2S)-2-(butoxycarbonylamino)-3-phenyl-propanoate Openeye Name: hexyl (2S)-2-(butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[butoxy(oxo)methyl]amino]-3-phenylpropanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-(butoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(butoxycarbonylamino)-3-phenyl-propionic acid hexyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4/c1-3-5-7-11-15-24-19(22)18(16-17-12-9-8-10-13-17)21-20(23)25-14-6-4-2/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3,(H,21,23)/t18-/m0/s1