(4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl) benzoate

Systemtic Name: (4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl) benzoate Openeye Name: [4-(1-isoquinolyl)-1-phenethyl-4-piperidyl] benzoate CAS Name: benzoic acid [4-(1-isoquinolinyl)-1-phenethyl-4-piperidinyl] ester IUPAC Name: (4-isoquinolin-1-yl-1-phenethylpiperidin-4-yl) benzoate Traditional Name: benzoic acid [4-(1-isoquinolyl)-1-phenethyl-4-piperidyl] ester Formula: C29H28N2O2 MolecularWeight: 436.54482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O2/c32-28(25-12-5-2-6-13-25)33-29(27-26-14-8-7-11-24(26)15-19-30-27)17-21-31(22-18-29)20-16-23-9-3-1-4-10-23/h1-15,19H,16-18,20-22H2