[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H27N3O5/c1-3-28-17-9-7-16(8-10-17)20(27)23-13-18(25)29-15(2)19(26)24-21(14-22)11-5-4-6-12-21/h7-10,15H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,26)/t15-/m1/s1