4-(2-methylphenyl)penta-2,3-dienyl 3-phenylprop-2-ynoate

Systemtic Name: 4-(2-methylphenyl)penta-2,3-dienyl 3-phenylprop-2-ynoate Openeye Name: 4-(o-tolyl)penta-2,3-dienyl 3-phenylprop-2-ynoate CAS Name: 3-phenyl-2-propynoic acid 4-(2-methylphenyl)penta-2,3-dienyl ester IUPAC Name: 4-(2-methylphenyl)penta-2,3-dienyl 3-phenylprop-2-ynoate Traditional Name: 3-phenylpropiolic acid 4-(o-tolyl)penta-2,3-dienyl ester Formula: C21H18O2 MolecularWeight: 302.36642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C=CCOC(=O)C#CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC=CC=C1C(=C=CCOC(=O)C#CC2=CC=CC=C2)C

InChI

InChI=1S/C21H18O2/c1-17-9-6-7-13-20(17)18(2)10-8-16-23-21(22)15-14-19-11-4-3-5-12-19/h3-9,11-13H,16H2,1-2H3