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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-13(17(21)22)24-18(23)20-10-14-7-15(11-20)9-19(8-14,12-20)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H2,21,22)/t13-,14-,15+,19?,20?/m0/s1