[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H22N2O3/c21-11-13-1-3-17(4-2-13)22-18(23)12-25-19(24)20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-10,12H2,(H,22,23)