[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C21H25N3O4/c1-15(19(26)23-21(14-22)10-3-2-4-11-21)28-20(27)16-7-5-8-17(13-16)24-12-6-9-18(24)25/h5,7-8,13,15H,2-4,6,9-12H2,1H3,(H,23,26)/t15-/m1/s1