(1S,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(2-pyridin-4-ylethynyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1S,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(2-pyridin-4-ylethynyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(4-pyridyl)ethynyl]cyclohexanecarboxylic acid CAS Name: (1S,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-pyridin-4-ylethynyl)-1-cyclohexanecarboxylic acid IUPAC Name: (1S,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-pyridin-4-ylethynyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(4-pyridyl)ethynyl]cyclohexanecarboxylic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@]2(CCC[C@@H](C2)C(=O)O)C#CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C26H29NO4/c1-30-23-9-8-21(17-24(23)31-22-6-2-3-7-22)26(13-4-5-20(18-26)25(28)29)14-10-19-11-15-27-16-12-19/h8-9,11-12,15-17,20,22H,2-7,13,18H2,1H3,(H,28,29)/t20-,26-/m0/s1