7-[4-[5-(8-prop-2-enoyloxyoctyl)pyrimidin-2-yl]phenyl]heptan-2-yl propanoate

Systemtic Name: 7-[4-[5-(8-prop-2-enoyloxyoctyl)pyrimidin-2-yl]phenyl]heptan-2-yl propanoate Openeye Name: [1-methyl-6-[4-[5-(8-prop-2-enoyloxyoctyl)pyrimidin-2-yl]phenyl]hexyl] propanoate CAS Name: propanoic acid 7-[4-[5-[8-(1-oxoprop-2-enoxy)octyl]-2-pyrimidinyl]phenyl]heptan-2-yl ester IUPAC Name: 7-[4-[5-(8-prop-2-enoyloxyoctyl)pyrimidin-2-yl]phenyl]heptan-2-yl propanoate Traditional Name: propionic acid [6-[4-[5-(8-acryloyloxyoctyl)pyrimidin-2-yl]phenyl]-1-methyl-hexyl] ester Formula: C31H44N2O4 MolecularWeight: 508.69206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCCOC(=O)C=C

Isomeric SMILES

CCC(=O)OC(C)CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCCOC(=O)C=C

InChI

InChI=1S/C31H44N2O4/c1-4-29(34)36-22-14-9-7-6-8-12-17-27-23-32-31(33-24-27)28-20-18-26(19-21-28)16-13-10-11-15-25(3)37-30(35)5-2/h4,18-21,23-25H,1,5-17,22H2,2-3H3