(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoic acid

Systemtic Name: (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoic acid Openeye Name: (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoic acid CAS Name: (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexanoic acid IUPAC Name: (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexanoic acid Traditional Name: (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@](CCC(=O)O)(C#N)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H21NO4/c1-11(2)16(10-17,8-7-15(18)19)12-5-6-13(20-3)14(9-12)21-4/h5-6,9,11H,7-8H2,1-4H3,(H,18,19)/t16-/m0/s1