(E)-5-butoxy-1-[4-(2-pyridin-3-ylethyl)phenyl]pent-1-en-3-one

Systemtic Name: (E)-5-butoxy-1-[4-(2-pyridin-3-ylethyl)phenyl]pent-1-en-3-one Openeye Name: (E)-5-butoxy-1-[4-[2-(3-pyridyl)ethyl]phenyl]pent-1-en-3-one CAS Name: (E)-5-butoxy-1-[4-[2-(3-pyridinyl)ethyl]phenyl]-1-penten-3-one IUPAC Name: (E)-5-butoxy-1-[4-(2-pyridin-3-ylethyl)phenyl]pent-1-en-3-one Traditional Name: (E)-5-butoxy-1-[4-[2-(3-pyridyl)ethyl]phenyl]pent-1-en-3-one Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2/c1-2-3-16-25-17-14-22(24)13-12-20-8-6-19(7-9-20)10-11-21-5-4-15-23-18-21/h4-9,12-13,15,18H,2-3,10-11,14,16-17H2,1H3/b13-12+