[4-(6,7-dimethoxyisoquinolin-1-yl)-1-phenethyl-piperidin-4-yl] benzoate

Systemtic Name: [4-(6,7-dimethoxyisoquinolin-1-yl)-1-phenethyl-piperidin-4-yl] benzoate Openeye Name: [4-(6,7-dimethoxy-1-isoquinolyl)-1-phenethyl-4-piperidyl] benzoate CAS Name: benzoic acid [4-(6,7-dimethoxy-1-isoquinolinyl)-1-phenethyl-4-piperidinyl] ester IUPAC Name: [4-(6,7-dimethoxyisoquinolin-1-yl)-1-phenethylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [4-(6,7-dimethoxy-1-isoquinolyl)-1-phenethyl-4-piperidyl] ester Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C3(CCN(CC3)CCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C3(CCN(CC3)CCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H32N2O4/c1-35-27-21-25-13-17-32-29(26(25)22-28(27)36-2)31(37-30(34)24-11-7-4-8-12-24)15-19-33(20-16-31)18-14-23-9-5-3-6-10-23/h3-13,17,21-22H,14-16,18-20H2,1-2H3