4-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid Openeye Name: 4-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: 4-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid Traditional Name: 4-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-31-21-7-6-19(14-22(21)32-20-4-2-3-5-20)25(12-9-18(10-13-25)23(29)30)11-8-17-15-27-24(26)28-16-17/h6-7,14-16,18,20H,2-5,9-10,12-13H2,1H3,(H,29,30)(H2,26,27,28)