4-[(E)-4-[(6E)-6-methoxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid

Systemtic Name: 4-[(E)-4-[(6E)-6-methoxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[(6E)-6-methoxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[(6E)-6-methoxyimino-2-methyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[(6E)-6-methoxyimino-2-methylcyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[(6E)-2-methyl-6-methyloximino-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Formula: C19H19NO3 MolecularWeight: 309.35906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NOC)CCC1)C=CC#CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(/C(=N/OC)/CCC1)/C=C/C#CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H19NO3/c1-14-6-5-9-18(20-23-2)17(14)8-4-3-7-15-10-12-16(13-11-15)19(21)22/h4,8,10-13H,5-6,9H2,1-2H3,(H,21,22)/b8-4+,20-18+