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

Systemtic Name: 4-[2-(2-acetamidopyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid Openeye Name: 4-[2-(2-acetamidopyrimidin-5-yl)ethynyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: 4-[2-(2-acetamido-5-pyrimidinyl)ethynyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-[2-(2-acetamidopyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid Traditional Name: 4-[2-(2-acetamidopyrimidin-5-yl)ethynyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=N1)C#CC2(CCC(CC2)C(=O)O)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC(=O)NC1=NC=C(C=N1)C#CC2(CCC(CC2)C(=O)O)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C27H31N3O5/c1-18(31)30-26-28-16-19(17-29-26)9-12-27(13-10-20(11-14-27)25(32)33)21-7-8-23(34-2)24(15-21)35-22-5-3-4-6-22/h7-8,15-17,20,22H,3-6,10-11,13-14H2,1-2H3,(H,32,33)(H,28,29,30,31)