4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid Openeye Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid CAS Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethylhexanoic acid IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethylhexanoic acid Traditional Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-5-16(10-17,12(3)11(2)15(18)19)13-7-6-8-14(9-13)20-4/h6-9,11-12H,5H2,1-4H3,(H,18,19)