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

Systemtic Name: 3-[5-[5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl]pentyl]oxirane-2-carboxylic acid Openeye Name: 3-[5-[5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl]pentyl]oxirane-2-carboxylic acid CAS Name: 3-[5-[5-(8-cyclopentyloctyl)-2-(2-pyrimidinyl)phenyl]pentyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[5-[5-(8-cyclopentyloctyl)-2-pyrimidin-2-ylphenyl]pentyl]oxirane-2-carboxylic acid Traditional Name: 3-[5-[5-(8-cyclopentyloctyl)-2-(2-pyrimidyl)phenyl]pentyl]oxirane-2-carboxylic acid Formula: C31H44N2O3 MolecularWeight: 492.69266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCCCCCCCC2=CC(=C(C=C2)C3=NC=CC=N3)CCCCCC4C(O4)C(=O)O

Isomeric SMILES

C1CCC(C1)CCCCCCCCC2=CC(=C(C=C2)C3=NC=CC=N3)CCCCCC4C(O4)C(=O)O

InChI

InChI=1S/C31H44N2O3/c34-31(35)29-28(36-29)18-9-5-8-17-26-23-25(19-20-27(26)30-32-21-12-22-33-30)16-7-4-2-1-3-6-13-24-14-10-11-15-24/h12,19-24,28-29H,1-11,13-18H2,(H,34,35)