[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-11(15(22)21-17(10-19)7-3-2-4-8-17)24-16(23)13-6-5-12(18)9-14(13)20/h5-6,9,11H,2-4,7-8,20H2,1H3,(H,21,22)/t11-/m1/s1