[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N(C)C)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=CC=C4

InChI

InChI=1S/C22H29NO3/c1-15(19(24)23(2)3)26-20(25)22-12-16-9-17(13-22)11-21(10-16,14-22)18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3/t15-,16-,17+,21?,22?/m1/s1