(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxidanylidenecyclohexyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxidanylidenecyclohexyl)propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-(2-oxocyclohexyl)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-oxocyclohexyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxocyclohexyl)propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-ketocyclohexyl)propionic acid benzyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO5/c1-21(2,3)27-20(25)22-17(13-16-11-7-8-12-18(16)23)19(24)26-14-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3,(H,22,25)