4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-2-ethoxy-phenol

Systemtic Name: 4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-2-ethoxy-phenol Openeye Name: 4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]-2-ethoxy-phenol CAS Name: 4-[[(1-cyclopentyl-4-piperidinyl)methyl-(3-pyridinylmethyl)amino]methyl]-2-ethoxyphenol IUPAC Name: 4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-2-ethoxyphenol Traditional Name: 4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]-2-ethoxy-phenol Formula: C26H37N3O2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4)O

InChI

InChI=1S/C26H37N3O2/c1-2-31-26-16-22(9-10-25(26)30)19-28(20-23-6-5-13-27-17-23)18-21-11-14-29(15-12-21)24-7-3-4-8-24/h5-6,9-10,13,16-17,21,24,30H,2-4,7-8,11-12,14-15,18-20H2,1H3