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

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-ethynyl-cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-ethynyl-cyclohexanecarboxylic acid CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynylcyclohexane-1-carboxylic acid Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-ethynyl-cyclohexanecarboxylic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#C)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#C)OC3CCCC3

InChI

InChI=1S/C21H26O4/c1-3-21(12-10-15(11-13-21)20(22)23)16-8-9-18(24-2)19(14-16)25-17-6-4-5-7-17/h1,8-9,14-15,17H,4-7,10-13H2,2H3,(H,22,23)