methyl 4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[(1-cyclopentyl-4-piperidinyl)methyl-(3-pyridinylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]benzoic acid methyl ester Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-31-26(30)24-10-8-21(9-11-24)18-28(20-23-5-4-14-27-17-23)19-22-12-15-29(16-13-22)25-6-2-3-7-25/h4-5,8-11,14,17,22,25H,2-3,6-7,12-13,15-16,18-20H2,1H3