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

Systemtic Name: ethyl 4-[(E)-4-[(6E)-2-methyl-6-phenylmethoxyimino-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-[(6E)-6-benzyloxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[(6E)-2-methyl-6-phenylmethoxyimino-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-[(6E)-2-methyl-6-phenylmethoxyiminocyclohexen-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[(6E)-6-benzyloximino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC=CC2=C(CCCC2=NOCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#C/C=C/C\2=C(CCC/C2=N\OCC3=CC=CC=C3)C

InChI

InChI=1S/C27H27NO3/c1-3-30-27(29)24-18-16-22(17-19-24)11-7-8-14-25-21(2)10-9-15-26(25)28-31-20-23-12-5-4-6-13-23/h4-6,8,12-14,16-19H,3,9-10,15,20H2,1-2H3/b14-8+,28-26+