(4-isoquinolin-1-ylpiperidin-4-yl) benzoate

Systemtic Name: (4-isoquinolin-1-ylpiperidin-4-yl) benzoate Openeye Name: [4-(1-isoquinolyl)-4-piperidyl] benzoate CAS Name: benzoic acid [4-(1-isoquinolinyl)-4-piperidinyl] ester IUPAC Name: (4-isoquinolin-1-ylpiperidin-4-yl) benzoate Traditional Name: benzoic acid [4-(1-isoquinolyl)-4-piperidyl] ester Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2/c24-20(17-7-2-1-3-8-17)25-21(11-14-22-15-12-21)19-18-9-5-4-6-16(18)10-13-23-19/h1-10,13,22H,11-12,14-15H2