[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C25H32ClNO3 MolecularWeight: 429.97948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C25H32ClNO3/c26-25-14-20-11-21(15-25)13-24(12-20,17-25)23(29)30-16-22(28)27-8-6-19(7-9-27)10-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2/t20-,21+,24?,25?