[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C21H30N2O5/c1-21(2,3)28-20(26)22-17-11-9-16(10-12-17)19(25)27-15-18(24)23-13-7-5-4-6-8-14-23/h9-12H,4-8,13-15H2,1-3H3,(H,22,26)