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

Systemtic Name: N-[5-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-4-oxidanyl-cyclohexyl]ethynyl]pyrimidin-2-yl]propanamide Openeye Name: N-[5-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexyl]ethynyl]pyrimidin-2-yl]propanamide CAS Name: N-[5-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-hydroxycyclohexyl]ethynyl]-2-pyrimidinyl]propanamide IUPAC Name: N-[5-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-hydroxycyclohexyl]ethynyl]pyrimidin-2-yl]propanamide Traditional Name: N-[5-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexyl]ethynyl]pyrimidin-2-yl]propionamide Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c1-3-25(32)30-26-28-17-19(18-29-26)10-13-27(14-11-21(31)12-15-27)20-8-9-23(33-2)24(16-20)34-22-6-4-5-7-22/h8-9,16-18,21-22,31H,3-7,11-12,14-15H2,1-2H3,(H,28,29,30,32)