[3-isoquinolin-1-yl-1-(phenylmethyl)piperidin-3-yl] benzoate

Systemtic Name: [3-isoquinolin-1-yl-1-(phenylmethyl)piperidin-3-yl] benzoate Openeye Name: [1-benzyl-3-(1-isoquinolyl)-3-piperidyl] benzoate CAS Name: benzoic acid [3-(1-isoquinolinyl)-1-(phenylmethyl)-3-piperidinyl] ester IUPAC Name: (1-benzyl-3-isoquinolin-1-ylpiperidin-3-yl) benzoate Traditional Name: benzoic acid [1-benzyl-3-(1-isoquinolyl)-3-piperidyl] ester Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O2/c31-27(24-13-5-2-6-14-24)32-28(26-25-15-8-7-12-23(25)16-18-29-26)17-9-19-30(21-28)20-22-10-3-1-4-11-22/h1-8,10-16,18H,9,17,19-21H2