5-cyano-5-(3-methoxyphenyl)pentanoate

Systemtic Name: 5-cyano-5-(3-methoxyphenyl)pentanoate Openeye Name: 5-cyano-5-(3-methoxyphenyl)pentanoate CAS Name: 5-cyano-5-(3-methoxyphenyl)pentanoate IUPAC Name: 5-cyano-5-(3-methoxyphenyl)pentanoate Traditional Name: 5-cyano-5-(3-methoxyphenyl)valerate Formula: C13H14NO3- MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCCC(=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(CCCC(=O)[O-])C#N

InChI

InChI=1S/C13H15NO3/c1-17-12-6-2-4-10(8-12)11(9-14)5-3-7-13(15)16/h2,4,6,8,11H,3,5,7H2,1H3,(H,15,16)/p-1