2-phenylethanoyl 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate

Systemtic Name: 2-phenylethanoyl 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate Openeye Name: (2-phenylacetyl) 8-(tert-butoxycarbonylamino)octanoate CAS Name: 8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octanoic acid (1-oxo-2-phenylethyl) ester IUPAC Name: (2-phenylacetyl) 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate Traditional Name: 8-(tert-butoxycarbonylamino)caprylic acid (2-phenylacetyl) ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCC(=O)OC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCC(=O)OC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C21H31NO5/c1-21(2,3)27-20(25)22-15-11-6-4-5-10-14-18(23)26-19(24)16-17-12-8-7-9-13-17/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3,(H,22,25)