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

Systemtic Name: octyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoate Openeye Name: octyl (2S)-2-(isobutoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-methylpropoxy(oxo)methyl]amino]-3-phenylpropanoic acid octyl ester IUPAC Name: octyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4/c1-4-5-6-7-8-12-15-26-21(24)20(16-19-13-10-9-11-14-19)23-22(25)27-17-18(2)3/h9-11,13-14,18,20H,4-8,12,15-17H2,1-3H3,(H,23,25)/t20-/m0/s1