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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-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-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-15(18-5-3-2-4-6-18)12-23-19(24)13-27-20(25)21-8-16-7-17(9-21)11-22(26,10-16)14-21/h2-6,15-17,26H,7-14H2,1H3,(H,23,24)/t15-,16-,17+,21?,22?/m1/s1