5-(9-cyclopentylnonyl)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine

Systemtic Name: 5-(9-cyclopentylnonyl)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine Openeye Name: 5-(9-cyclopentylnonyl)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine CAS Name: 5-(9-cyclopentylnonyl)-2-[4-[(3-hexyl-2-oxiranyl)methoxy]phenyl]pyrimidine IUPAC Name: 5-(9-cyclopentylnonyl)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine Traditional Name: 5-(9-cyclopentylnonyl)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine Formula: C33H50N2O2 MolecularWeight: 506.7623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(O1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1C(O1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC4CCCC4

InChI

InChI=1S/C33H50N2O2/c1-2-3-4-12-19-31-32(37-31)26-36-30-22-20-29(21-23-30)33-34-24-28(25-35-33)18-11-9-7-5-6-8-10-15-27-16-13-14-17-27/h20-25,27,31-32H,2-19,26H2,1H3