[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C21H24N2O3/c22-6-5-13-1-3-18(4-2-13)23-19(24)12-26-21(25)20-16-8-14-7-15(10-16)11-17(20)9-14/h1-4,14-17,20H,5,7-12H2,(H,23,24)