[(1R,4R)-4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] benzoate

Systemtic Name: [(1R,4R)-4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] benzoate Openeye Name: [(1R,4R)-4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] benzoate CAS Name: benzoic acid [(1R,4R)-4-cyano-1-(dimethylaminomethyl)-4-phenylcycloheptyl] ester IUPAC Name: [(1R,4R)-4-cyano-1-(dimethylaminomethyl)-4-phenylcycloheptyl] benzoate Traditional Name: benzoic acid [(1R,4R)-4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] ester Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(CCCC(CC1)(C#N)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C[C@]1(CCC[C@](CC1)(C#N)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2/c1-26(2)19-24(28-22(27)20-10-5-3-6-11-20)15-9-14-23(18-25,16-17-24)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17,19H2,1-2H3/t23-,24+/m0/s1