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

Systemtic Name: 2-dimethylaminoethyl (5S,7R)-3-acetyloxyadamantane-1-carboxylate Openeye Name: 2-dimethylaminoethyl (5S,7R)-3-acetoxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetyloxy-1-adamantanecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl (5S,7R)-3-acetyloxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetoxyadamantane-1-carboxylic acid 2-dimethylaminoethyl ester Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)OCCN(C)C

Isomeric SMILES

CC(=O)OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCCN(C)C

InChI

InChI=1S/C17H27NO4/c1-12(19)22-17-9-13-6-14(10-17)8-16(7-13,11-17)15(20)21-5-4-18(2)3/h13-14H,4-11H2,1-3H3/t13-,14+,16?,17?