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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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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)C2(CCCCC2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C22H29N3O5/c1-21(2,3)30-20(28)24-17-10-8-9-16(13-17)19(27)29-14-18(26)25(4)22(15-23)11-6-5-7-12-22/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,24,28)