[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-14(22-18(25)16-9-5-3-6-10-16)19(26)27-15(2)17(24)23-20(13-21)11-7-4-8-12-20/h3,5-6,9-10,14-15H,4,7-8,11-12H2,1-2H3,(H,22,25)(H,23,24)