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

Systemtic Name: [4-(7-methoxyisoquinolin-1-yl)-1-(phenylmethyl)piperidin-4-yl] benzoate Openeye Name: [1-benzyl-4-(7-methoxy-1-isoquinolyl)-4-piperidyl] benzoate CAS Name: benzoic acid [4-(7-methoxy-1-isoquinolinyl)-1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: [1-benzyl-4-(7-methoxyisoquinolin-1-yl)piperidin-4-yl] benzoate Traditional Name: benzoic acid [1-benzyl-4-(7-methoxy-1-isoquinolyl)-4-piperidyl] ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2C3(CCN(CC3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2C3(CCN(CC3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c1-33-25-13-12-23-14-17-30-27(26(23)20-25)29(34-28(32)24-10-6-3-7-11-24)15-18-31(19-16-29)21-22-8-4-2-5-9-22/h2-14,17,20H,15-16,18-19,21H2,1H3