[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Cl)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H28ClNO3/c1-15(18-5-3-2-4-6-18)12-24-19(25)13-27-20(26)21-8-16-7-17(9-21)11-22(23,10-16)14-21/h2-6,15-17H,7-14H2,1H3,(H,24,25)/t15-,16-,17+,21?,22?/m1/s1