4-cyano-4-(3-methoxyphenyl)-2-methyl-hexanoic acid

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-hexanoic acid Openeye Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-hexanoic acid CAS Name: 4-cyano-4-(3-methoxyphenyl)-2-methylhexanoic acid IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-2-methylhexanoic acid Traditional Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-hexanoic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-4-15(10-16,9-11(2)14(17)18)12-6-5-7-13(8-12)19-3/h5-8,11H,4,9H2,1-3H3,(H,17,18)