3-[5-[5-(8-cyclopentyloctoxy)-2-pyrimidin-2-yl-phenyl]pentyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[5-[5-(8-cyclopentyloctoxy)-2-pyrimidin-2-yl-phenyl]pentyl]oxirane-2-carboxylic acid Openeye Name: 3-[5-[5-(8-cyclopentyloctoxy)-2-pyrimidin-2-yl-phenyl]pentyl]oxirane-2-carboxylic acid CAS Name: 3-[5-[5-(8-cyclopentyloctoxy)-2-(2-pyrimidinyl)phenyl]pentyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[5-[5-(8-cyclopentyloctoxy)-2-pyrimidin-2-ylphenyl]pentyl]oxirane-2-carboxylic acid Traditional Name: 3-[5-[5-(8-cyclopentyloctoxy)-2-(2-pyrimidyl)phenyl]pentyl]oxirane-2-carboxylic acid Formula: C31H44N2O4 MolecularWeight: 508.69206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCCCCCCCOC2=CC(=C(C=C2)C3=NC=CC=N3)CCCCCC4C(O4)C(=O)O

Isomeric SMILES

C1CCC(C1)CCCCCCCCOC2=CC(=C(C=C2)C3=NC=CC=N3)CCCCCC4C(O4)C(=O)O

InChI

InChI=1S/C31H44N2O4/c34-31(35)29-28(37-29)17-8-5-7-16-25-23-26(18-19-27(25)30-32-20-12-21-33-30)36-22-11-4-2-1-3-6-13-24-14-9-10-15-24/h12,18-21,23-24,28-29H,1-11,13-17,22H2,(H,34,35)