(2R,3S)-2-(4-phenylpiperazin-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (2R,3S)-2-(4-phenylpiperazin-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate Openeye Name: (2R,3S)-2-(4-phenylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate CAS Name: (2R,3S)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-bicyclo[2.2.2]octanecarboxylate IUPAC Name: (2R,3S)-2-(4-phenylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate Traditional Name: (2R,3S)-2-(4-phenylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate Formula: C20H25N2O3- MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(C2C(=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CC2CCC1[C@H]([C@H]2C(=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N2O3/c23-19(17-14-6-8-15(9-7-14)18(17)20(24)25)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-5,14-15,17-18H,6-13H2,(H,24,25)/p-1/t14?,15?,17-,18+/m1/s1