[(1R,2R)-2-(piperidin-1-ylmethyl)cycloheptyl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-2-(piperidin-1-ylmethyl)cycloheptyl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-(1-piperidylmethyl)cycloheptyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-2-(1-piperidinylmethyl)cycloheptyl] ester IUPAC Name: [(1R,2R)-2-(piperidin-1-ylmethyl)cycloheptyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-(piperidinomethyl)cycloheptyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3CCCCC3

Isomeric SMILES

C1CC[C@@H]([C@@H](CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3CCCCC3

InChI

InChI=1S/C20H28N2O4/c23-20(16-9-11-18(12-10-16)22(24)25)26-19-8-4-1-3-7-17(19)15-21-13-5-2-6-14-21/h9-12,17,19H,1-8,13-15H2/t17-,19-/m1/s1