[4-isoquinolin-1-yl-1-(phenylmethyl)piperidin-4-yl] benzoate

Systemtic Name: [4-isoquinolin-1-yl-1-(phenylmethyl)piperidin-4-yl] benzoate Openeye Name: [1-benzyl-4-(1-isoquinolyl)-4-piperidyl] benzoate CAS Name: benzoic acid [4-(1-isoquinolinyl)-1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: (1-benzyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate Traditional Name: benzoic acid [1-benzyl-4-(1-isoquinolyl)-4-piperidyl] ester Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

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