1-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-one

Systemtic Name: 1-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-one Openeye Name: 1-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-one CAS Name: 1-[5-methoxy-2-(2-phenylethynyl)phenyl]-2-butanone IUPAC Name: 1-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-one Traditional Name: 1-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-one Formula: C19H18O2 MolecularWeight: 278.34502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2

Isomeric SMILES

CCC(=O)CC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2

InChI

InChI=1S/C19H18O2/c1-3-18(20)13-17-14-19(21-2)12-11-16(17)10-9-15-7-5-4-6-8-15/h4-8,11-12,14H,3,13H2,1-2H3