4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-phenylethynyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-phenylethynyl)cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(2-phenylethynyl)cyclohexanecarboxylic acid CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-phenylethynyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-phenylethynyl)cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(2-phenylethynyl)cyclohexanecarboxylic acid Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#CC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#CC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C27H30O4/c1-30-24-12-11-22(19-25(24)31-23-9-5-6-10-23)27(16-13-20-7-3-2-4-8-20)17-14-21(15-18-27)26(28)29/h2-4,7-8,11-12,19,21,23H,5-6,9-10,14-15,17-18H2,1H3,(H,28,29)