methyl 6-(3-cyanophenyl)hex-5-ynoate

Systemtic Name: methyl 6-(3-cyanophenyl)hex-5-ynoate Openeye Name: methyl 6-(3-cyanophenyl)hex-5-ynoate CAS Name: 6-(3-cyanophenyl)-5-hexynoic acid methyl ester IUPAC Name: methyl 6-(3-cyanophenyl)hex-5-ynoate Traditional Name: 6-(3-cyanophenyl)hex-5-ynoic acid methyl ester Formula: C14H13NO2 MolecularWeight: 227.25852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC1=CC(=CC=C1)C#N

Isomeric SMILES

COC(=O)CCCC#CC1=CC(=CC=C1)C#N

InChI

InChI=1S/C14H13NO2/c1-17-14(16)9-4-2-3-6-12-7-5-8-13(10-12)11-15/h5,7-8,10H,2,4,9H2,1H3