[2-(hexylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O5/c1-5-6-7-8-13-21-17(23)14-26-18(24)15-9-11-16(12-10-15)22-19(25)27-20(2,3)4/h9-12H,5-8,13-14H2,1-4H3,(H,21,23)(H,22,25)