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

Systemtic Name: octyl (2S)-2-(butoxycarbonylamino)-3-phenyl-propanoate Openeye Name: octyl (2S)-2-(butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[butoxy(oxo)methyl]amino]-3-phenylpropanoic acid octyl ester IUPAC Name: octyl (2S)-2-(butoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(butoxycarbonylamino)-3-phenyl-propionic acid octyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4/c1-3-5-7-8-9-13-17-26-21(24)20(18-19-14-11-10-12-15-19)23-22(25)27-16-6-4-2/h10-12,14-15,20H,3-9,13,16-18H2,1-2H3,(H,23,25)/t20-/m0/s1