2-dimethylaminoethyl (5S,7S)-3-ethyladamantane-1-carboxylate

Systemtic Name: 2-dimethylaminoethyl (5S,7S)-3-ethyladamantane-1-carboxylate Openeye Name: 2-dimethylaminoethyl (5S,7S)-3-ethyladamantane-1-carboxylate CAS Name: (5S,7S)-3-ethyl-1-adamantanecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl (5S,7S)-3-ethyladamantane-1-carboxylate Traditional Name: (5S,7S)-3-ethyladamantane-1-carboxylic acid 2-dimethylaminoethyl ester Formula: C17H29NO2 MolecularWeight: 279.41766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CC3CC(C1)CC(C3)(C2)C(=O)OCCN(C)C

Isomeric SMILES

CCC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)C(=O)OCCN(C)C

InChI

InChI=1S/C17H29NO2/c1-4-16-8-13-7-14(9-16)11-17(10-13,12-16)15(19)20-6-5-18(2)3/h13-14H,4-12H2,1-3H3/t13-,14-,16?,17?/m0/s1