[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C20H25N3O5/c1-19(2,3)28-18(26)22-15-8-6-7-14(11-15)17(25)27-12-16(24)23-20(13-21)9-4-5-10-20/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,22,26)(H,23,24)