[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN2O3/c23-22-12-16-9-17(13-22)11-21(10-16,15-22)20(27)28-14-19(26)25(8-4-7-24)18-5-2-1-3-6-18/h1-3,5-6,16-17H,4,8-15H2