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

Systemtic Name: ethyl 4-[(E)-4-[2-methyl-6-(phenylcarbonyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-(6-benzoyloxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(6-benzoyloxy-2-methyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-(6-benzoyloxy-2-methylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-benzoyloxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC=CC2=C(CCCC2OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#C/C=C/C2=C(CCCC2OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H26O4/c1-3-30-26(28)23-18-16-21(17-19-23)11-7-8-14-24-20(2)10-9-15-25(24)31-27(29)22-12-5-4-6-13-22/h4-6,8,12-14,16-19,25H,3,9-10,15H2,1-2H3/b14-8+