8-[(2-methylpropan-2-yl)oxy]-8-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 8-[(2-methylpropan-2-yl)oxy]-8-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-8-tert-butoxy-8-oxo-octanoic acid CAS Name: 8-[(2-methylpropan-2-yl)oxy]-8-oxo-2-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 8-[(2-methylpropan-2-yl)oxy]-8-oxo-2-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-8-tert-butoxy-8-keto-caprylic acid Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H29NO6/c1-20(2,3)27-17(22)13-9-5-8-12-16(18(23)24)21-19(25)26-14-15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3,(H,21,25)(H,23,24)