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

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoic acid Openeye Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoic acid CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoic acid IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoic acid Traditional Name: 4-cyano-4-(3-methoxyphenyl)-3,3-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)CC(=O)O

Isomeric SMILES

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

InChI

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