N-[5-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-4-oxidanyl-cyclohexyl]ethynyl]pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-4-oxidanyl-cyclohexyl]ethynyl]pyrimidin-2-yl]ethanamide Openeye Name: N-[5-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexyl]ethynyl]pyrimidin-2-yl]acetamide CAS Name: N-[5-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-hydroxycyclohexyl]ethynyl]-2-pyrimidinyl]acetamide IUPAC Name: N-[5-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-hydroxycyclohexyl]ethynyl]pyrimidin-2-yl]acetamide Traditional Name: N-[5-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexyl]ethynyl]pyrimidin-2-yl]acetamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-18(30)29-25-27-16-19(17-28-25)9-12-26(13-10-21(31)11-14-26)20-7-8-23(32-2)24(15-20)33-22-5-3-4-6-22/h7-8,15-17,21-22,31H,3-6,10-11,13-14H2,1-2H3,(H,27,28,29,30)