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

Systemtic Name: [(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [(2R)-1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylamino)-1-oxopropan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-14(18(23)22-2)25-19(24)21-11-15-8-16(12-21)10-20(9-15,13-21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,22,23)/t14-,15-,16+,20?,21?/m1/s1