[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (5R,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (5R,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5R,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5R,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H29NO4 MolecularWeight: 323.42716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)O

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4/c1-3-14(4-2)19-15(20)10-23-16(21)17-6-12-5-13(7-17)9-18(22,8-12)11-17/h12-14,22H,3-11H2,1-2H3,(H,19,20)/t12-,13-,17?,18?/m1/s1