4-cyano-4-(3-methoxyphenyl)pentanoic acid

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)pentanoic acid Openeye Name: 4-cyano-4-(3-methoxyphenyl)pentanoic acid CAS Name: 4-cyano-4-(3-methoxyphenyl)pentanoic acid IUPAC Name: 4-cyano-4-(3-methoxyphenyl)pentanoic acid Traditional Name: 4-cyano-4-(3-methoxyphenyl)valeric acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C#N)C1=CC(=CC=C1)OC

Isomeric SMILES

CC(CCC(=O)O)(C#N)C1=CC(=CC=C1)OC

InChI

InChI=1S/C13H15NO3/c1-13(9-14,7-6-12(15)16)10-4-3-5-11(8-10)17-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)