(E)-6-(5-cyano-2-methoxy-3,4-dimethyl-6-oxidanyl-phenyl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(5-cyano-2-methoxy-3,4-dimethyl-6-oxidanyl-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(3-cyano-2-hydroxy-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(3-cyano-2-hydroxy-6-methoxy-4,5-dimethylphenyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(3-cyano-2-hydroxy-6-methoxy-4,5-dimethylphenyl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(3-cyano-2-hydroxy-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid Formula: C17H21NO4 MolecularWeight: 303.35294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)OC)CC=C(C)CCC(=O)O)O)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C)OC)C/C=C(\C)/CCC(=O)O)O)C#N

InChI

InChI=1S/C17H21NO4/c1-10(6-8-15(19)20)5-7-13-16(21)14(9-18)11(2)12(3)17(13)22-4/h5,21H,6-8H2,1-4H3,(H,19,20)/b10-5+