(5E)-4-[3-(4-methylphenyl)prop-2-ynyl]-4-oxidanyl-5-(phenylmethylidene)cyclopent-2-en-1-one

Systemtic Name: (5E)-4-[3-(4-methylphenyl)prop-2-ynyl]-4-oxidanyl-5-(phenylmethylidene)cyclopent-2-en-1-one Openeye Name: (5E)-5-benzylidene-4-hydroxy-4-[3-(p-tolyl)prop-2-ynyl]cyclopent-2-en-1-one CAS Name: (5E)-4-hydroxy-4-[3-(4-methylphenyl)prop-2-ynyl]-5-(phenylmethylene)-1-cyclopent-2-enone IUPAC Name: (5E)-5-benzylidene-4-hydroxy-4-[3-(4-methylphenyl)prop-2-ynyl]cyclopent-2-en-1-one Traditional Name: (5E)-5-benzal-4-hydroxy-4-[3-(p-tolyl)prop-2-ynyl]cyclopent-2-en-1-one Formula: C22H18O2 MolecularWeight: 314.37712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCC2(C=CC(=O)C2=CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CCC\2(C=CC(=O)/C2=C/C3=CC=CC=C3)O

InChI

InChI=1S/C22H18O2/c1-17-9-11-18(12-10-17)8-5-14-22(24)15-13-21(23)20(22)16-19-6-3-2-4-7-19/h2-4,6-7,9-13,15-16,24H,14H2,1H3/b20-16-