[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] adamantane-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] adamantane-2-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1C2CC3CC(C2)CC1C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1C2CC3CC(C2)CC1C3)C4=CC=CC=C4

InChI

InChI=1S/C22H29NO3/c1-14(17-5-3-2-4-6-17)12-23-20(24)13-26-22(25)21-18-8-15-7-16(10-18)11-19(21)9-15/h2-6,14-16,18-19,21H,7-13H2,1H3,(H,23,24)/t14-,15?,16?,18?,19?,21?/m1/s1