[4-(7-methoxyisoquinolin-1-yl)-1-phenethyl-piperidin-4-yl] benzoate

Systemtic Name: [4-(7-methoxyisoquinolin-1-yl)-1-phenethyl-piperidin-4-yl] benzoate Openeye Name: [4-(7-methoxy-1-isoquinolyl)-1-phenethyl-4-piperidyl] benzoate CAS Name: benzoic acid [4-(7-methoxy-1-isoquinolinyl)-1-phenethyl-4-piperidinyl] ester IUPAC Name: [4-(7-methoxyisoquinolin-1-yl)-1-phenethylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [4-(7-methoxy-1-isoquinolyl)-1-phenethyl-4-piperidyl] ester Formula: C30H30N2O3 MolecularWeight: 466.5708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2C3(CCN(CC3)CCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2C3(CCN(CC3)CCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H30N2O3/c1-34-26-13-12-24-14-18-31-28(27(24)22-26)30(35-29(33)25-10-6-3-7-11-25)16-20-32(21-17-30)19-15-23-8-4-2-5-9-23/h2-14,18,22H,15-17,19-21H2,1H3