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

Systemtic Name: 4-[(E)-4-[(6E)-2-methyl-6-phenylmethoxyimino-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[(6E)-6-benzyloxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[(6E)-2-methyl-6-phenylmethoxyimino-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[(6E)-2-methyl-6-phenylmethoxyiminocyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[(6E)-6-benzyloximino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NOCC2=CC=CC=C2)CCC1)C=CC#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(/C(=N/OCC2=CC=CC=C2)/CCC1)/C=C/C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H23NO3/c1-19-8-7-13-24(26-29-18-21-10-3-2-4-11-21)23(19)12-6-5-9-20-14-16-22(17-15-20)25(27)28/h2-4,6,10-12,14-17H,7-8,13,18H2,1H3,(H,27,28)/b12-6+,26-24+