(1-isoquinolin-1-ylcyclohexyl) benzoate

Systemtic Name: (1-isoquinolin-1-ylcyclohexyl) benzoate Openeye Name: [1-(1-isoquinolyl)cyclohexyl] benzoate CAS Name: benzoic acid [1-(1-isoquinolinyl)cyclohexyl] ester IUPAC Name: (1-isoquinolin-1-ylcyclohexyl) benzoate Traditional Name: benzoic acid [1-(1-isoquinolyl)cyclohexyl] ester Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO2/c24-21(18-10-3-1-4-11-18)25-22(14-7-2-8-15-22)20-19-12-6-5-9-17(19)13-16-23-20/h1,3-6,9-13,16H,2,7-8,14-15H2