methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)cyclohex-3-ene-1-carboxylate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylate Traditional Name: 2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(C(C=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC(C(C=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O6/c1-21(2,3)29-20(26)22-15-10-11-17(16(12-15)18(24)27-4)23-19(25)28-13-14-8-6-5-7-9-14/h5-11,15-17H,12-13H2,1-4H3,(H,22,26)(H,23,25)