[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(C)CCC#N

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)20-14-8-5-7-13(11-14)16(23)25-12-15(22)21(4)10-6-9-19/h5,7-8,11H,6,10,12H2,1-4H3,(H,20,24)