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

Systemtic Name: ethyl 4-[(E)-4-[(6E)-6-methoxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-[(6E)-6-methoxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[(6E)-6-methoxyimino-2-methyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-[(6E)-6-methoxyimino-2-methylcyclohexen-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[(6E)-2-methyl-6-methyloximino-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC=CC2=C(CCCC2=NOC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#C/C=C/C\2=C(CCC/C2=N\OC)C

InChI

InChI=1S/C21H23NO3/c1-4-25-21(23)18-14-12-17(13-15-18)9-5-6-10-19-16(2)8-7-11-20(19)22-24-3/h6,10,12-15H,4,7-8,11H2,1-3H3/b10-6+,22-20+