2-[4-[2-[5-(4-ethoxyphenyl)pyridin-2-yl]ethynyl]phenoxy]-N,N-diethyl-ethanamine

Systemtic Name: 2-[4-[2-[5-(4-ethoxyphenyl)pyridin-2-yl]ethynyl]phenoxy]-N,N-diethyl-ethanamine Openeye Name: 2-[4-[2-[5-(4-ethoxyphenyl)-2-pyridyl]ethynyl]phenoxy]-N,N-diethyl-ethanamine CAS Name: 2-[4-[2-[5-(4-ethoxyphenyl)-2-pyridinyl]ethynyl]phenoxy]-N,N-diethylethanamine IUPAC Name: 2-[4-[2-[5-(4-ethoxyphenyl)pyridin-2-yl]ethynyl]phenoxy]-N,N-diethylethanamine Traditional Name: diethyl-[2-[4-[2-(5-p-phenetyl-2-pyridyl)ethynyl]phenoxy]ethyl]amine Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C#CC2=NC=C(C=C2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C#CC2=NC=C(C=C2)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C27H30N2O2/c1-4-29(5-2)19-20-31-27-15-8-22(9-16-27)7-13-25-14-10-24(21-28-25)23-11-17-26(18-12-23)30-6-3/h8-12,14-18,21H,4-6,19-20H2,1-3H3