[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C24H30ClNO3 MolecularWeight: 415.9529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C24H30ClNO3/c25-24-14-17-11-18(15-24)13-23(12-17,16-24)22(28)29-20(19-7-3-1-4-8-19)21(27)26-9-5-2-6-10-26/h1,3-4,7-8,17-18,20H,2,5-6,9-16H2/t17-,18+,20-,23?,24?/m0/s1