[4-(4-bromanylisoquinolin-1-yl)-1-phenethyl-piperidin-4-yl] benzoate

Systemtic Name: [4-(4-bromanylisoquinolin-1-yl)-1-phenethyl-piperidin-4-yl] benzoate Openeye Name: [4-(4-bromo-1-isoquinolyl)-1-phenethyl-4-piperidyl] benzoate CAS Name: benzoic acid [4-(4-bromo-1-isoquinolinyl)-1-phenethyl-4-piperidinyl] ester IUPAC Name: [4-(4-bromoisoquinolin-1-yl)-1-phenethylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [4-(4-bromo-1-isoquinolyl)-1-phenethyl-4-piperidyl] ester Formula: C29H27BrN2O2 MolecularWeight: 515.44088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H27BrN2O2/c30-26-21-31-27(25-14-8-7-13-24(25)26)29(34-28(33)23-11-5-2-6-12-23)16-19-32(20-17-29)18-15-22-9-3-1-4-10-22/h1-14,21H,15-20H2