(E)-7-methoxy-1-[4-(2-pyridin-3-ylethyl)phenyl]hept-1-en-3-one

Systemtic Name: (E)-7-methoxy-1-[4-(2-pyridin-3-ylethyl)phenyl]hept-1-en-3-one Openeye Name: (E)-7-methoxy-1-[4-[2-(3-pyridyl)ethyl]phenyl]hept-1-en-3-one CAS Name: (E)-7-methoxy-1-[4-[2-(3-pyridinyl)ethyl]phenyl]-1-hepten-3-one IUPAC Name: (E)-7-methoxy-1-[4-(2-pyridin-3-ylethyl)phenyl]hept-1-en-3-one Traditional Name: (E)-7-methoxy-1-[4-[2-(3-pyridyl)ethyl]phenyl]hept-1-en-3-one Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC(=O)C=CC1=CC=C(C=C1)CCC2=CN=CC=C2

Isomeric SMILES

COCCCCC(=O)/C=C/C1=CC=C(C=C1)CCC2=CN=CC=C2

InChI

InChI=1S/C21H25NO2/c1-24-16-3-2-6-21(23)14-13-19-9-7-18(8-10-19)11-12-20-5-4-15-22-17-20/h4-5,7-10,13-15,17H,2-3,6,11-12,16H2,1H3/b14-13+