2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-5-methoxy-phenol Openeye Name: 2-[[[(3R)-1-cyclohexyl-3-piperidyl]methyl-(3-pyridylmethyl)amino]methyl]-5-methoxy-phenol CAS Name: 2-[[[(3R)-1-cyclohexyl-3-piperidinyl]methyl-(3-pyridinylmethyl)amino]methyl]-5-methoxyphenol IUPAC Name: 2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-5-methoxyphenol Traditional Name: 2-[[[(3R)-1-cyclohexyl-3-piperidyl]methyl-(3-pyridylmethyl)amino]methyl]-5-methoxy-phenol Formula: C26H37N3O2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(CC2CCCN(C2)C3CCCCC3)CC4=CN=CC=C4)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN(C[C@H]2CCCN(C2)C3CCCCC3)CC4=CN=CC=C4)O

InChI

InChI=1S/C26H37N3O2/c1-31-25-12-11-23(26(30)15-25)20-28(17-21-7-5-13-27-16-21)18-22-8-6-14-29(19-22)24-9-3-2-4-10-24/h5,7,11-13,15-16,22,24,30H,2-4,6,8-10,14,17-20H2,1H3/t22-/m1/s1