[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7S)-3-chloro-1-adamantanecarboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] (5S,7S)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7S)-3-chloroadamantane-1-carboxylic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C19H30ClNO3 MolecularWeight: 355.8994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Cl

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Cl

InChI

InChI=1S/C19H30ClNO3/c1-12(2)21(13(3)4)16(22)10-24-17(23)18-6-14-5-15(7-18)9-19(20,8-14)11-18/h12-15H,5-11H2,1-4H3/t14-,15-,18?,19?/m0/s1