[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H21BrN2O3/c21-20-8-14-5-15(9-20)7-19(6-14,12-20)18(25)26-11-17(24)23-16-3-1-13(10-22)2-4-16/h1-4,14-15H,5-9,11-12H2,(H,23,24)/t14-,15+,19?,20?