5-(4-ethoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine

Systemtic Name: 5-(4-ethoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine Openeye Name: 5-(4-ethoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine CAS Name: 5-(4-ethoxyphenyl)-2-[4-[4-(1-pyrrolidinylmethyl)phenyl]but-1-ynyl]pyridine IUPAC Name: 5-(4-ethoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine Traditional Name: 5-p-phenetyl-2-[4-[4-(pyrrolidinomethyl)phenyl]but-1-ynyl]pyridine Formula: C28H30N2O MolecularWeight: 410.5506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CN=C(C=C2)C#CCCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CN=C(C=C2)C#CCCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C28H30N2O/c1-2-31-28-17-14-25(15-18-28)26-13-16-27(29-21-26)8-4-3-7-23-9-11-24(12-10-23)22-30-19-5-6-20-30/h9-18,21H,2-3,5-7,19-20,22H2,1H3