methyl 3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-oxo-cyclohexyl]ethynyl]benzoate CAS Name: 3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]benzoate Traditional Name: 3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-keto-cyclohexyl]ethynyl]benzoic acid methyl ester Formula: C28H30O5 MolecularWeight: 446.5348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O5/c1-31-25-13-12-22(18-26(25)33-24-10-3-4-11-24)28(15-6-9-23(29)19-28)16-14-20-7-5-8-21(17-20)27(30)32-2/h5,7-8,12-13,17-18,24H,3-4,6,9-11,15,19H2,1-2H3