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

Systemtic Name: 4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-3-methoxy-phenol Openeye Name: 4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]-3-methoxy-phenol CAS Name: 4-[[(1-cyclopentyl-4-piperidinyl)methyl-(3-pyridinylmethyl)amino]methyl]-3-methoxyphenol IUPAC Name: 4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-3-methoxyphenol Traditional Name: 4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]-3-methoxy-phenol Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)O)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H35N3O2/c1-30-25-15-24(29)9-8-22(25)19-27(18-21-5-4-12-26-16-21)17-20-10-13-28(14-11-20)23-6-2-3-7-23/h4-5,8-9,12,15-16,20,23,29H,2-3,6-7,10-11,13-14,17-19H2,1H3