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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C20H28N2O5/c1-20(2,3)27-19(25)21-16-10-8-15(9-11-16)18(24)26-14-17(23)22-12-6-4-5-7-13-22/h8-11H,4-7,12-14H2,1-3H3,(H,21,25)