[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c24-6-1-7-25-20(27)14-30-21(28)18-2-4-19(5-3-18)26-22(29)23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17H,1,7-14H2,(H,25,27)(H,26,29)