N-[3-[4-(2,2-dimethylbutyl)-3-(2-phenylethynyl)phenoxy]propyl]pyridin-2-amine

Systemtic Name: N-[3-[4-(2,2-dimethylbutyl)-3-(2-phenylethynyl)phenoxy]propyl]pyridin-2-amine Openeye Name: N-[3-[4-(2,2-dimethylbutyl)-3-(2-phenylethynyl)phenoxy]propyl]pyridin-2-amine CAS Name: N-[3-[4-(2,2-dimethylbutyl)-3-(2-phenylethynyl)phenoxy]propyl]-2-pyridinamine IUPAC Name: N-[3-[4-(2,2-dimethylbutyl)-3-(2-phenylethynyl)phenoxy]propyl]pyridin-2-amine Traditional Name: 3-[4-(2,2-dimethylbutyl)-3-(2-phenylethynyl)phenoxy]propyl-(2-pyridyl)amine Formula: C28H32N2O MolecularWeight: 412.56648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#CC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#CC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O/c1-4-28(2,3)22-25-16-17-26(21-24(25)15-14-23-11-6-5-7-12-23)31-20-10-19-30-27-13-8-9-18-29-27/h5-9,11-13,16-18,21H,4,10,19-20,22H2,1-3H3,(H,29,30)