[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H21N3O4/c19-10-9-14-5-7-15(8-6-14)20-16(22)13-25-18(24)12-21-11-3-1-2-4-17(21)23/h5-8H,1-4,9,11-13H2,(H,20,22)