methyl 4-[[4-(pyridin-3-ylmethylamino)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(pyridin-3-ylmethylamino)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-pyridylmethylamino)-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-(3-pyridinylmethylamino)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyridin-3-ylmethylamino)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-pyridylmethylamino)piperidino]methyl]benzoic acid methyl ester Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NCC3=CN=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-25-20(24)18-6-4-16(5-7-18)15-23-11-8-19(9-12-23)22-14-17-3-2-10-21-13-17/h2-7,10,13,19,22H,8-9,11-12,14-15H2,1H3