3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]benzoic acid

Systemtic Name: 3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]benzoic acid Openeye Name: 3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-oxo-cyclohexyl]ethynyl]benzoic acid CAS Name: 3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]benzoic acid IUPAC Name: 3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]benzoic acid Traditional Name: 3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-keto-cyclohexyl]ethynyl]benzoic acid Formula: C27H28O5 MolecularWeight: 432.50822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C27H28O5/c1-31-24-12-11-21(17-25(24)32-23-9-2-3-10-23)27(14-5-8-22(28)18-27)15-13-19-6-4-7-20(16-19)26(29)30/h4,6-7,11-12,16-17,23H,2-3,5,8-10,14,18H2,1H3,(H,29,30)