7-[4-(5-oct-7-enoxypyrimidin-2-yl)phenyl]heptan-2-yl propanoate

Systemtic Name: 7-[4-(5-oct-7-enoxypyrimidin-2-yl)phenyl]heptan-2-yl propanoate Openeye Name: [1-methyl-6-[4-(5-oct-7-enoxypyrimidin-2-yl)phenyl]hexyl] propanoate CAS Name: propanoic acid 7-[4-(5-oct-7-enoxy-2-pyrimidinyl)phenyl]heptan-2-yl ester IUPAC Name: 7-[4-(5-oct-7-enoxypyrimidin-2-yl)phenyl]heptan-2-yl propanoate Traditional Name: propionic acid [1-methyl-6-[4-(5-oct-7-enoxypyrimidin-2-yl)phenyl]hexyl] ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O3/c1-4-6-7-8-9-13-20-32-26-21-29-28(30-22-26)25-18-16-24(17-19-25)15-12-10-11-14-23(3)33-27(31)5-2/h4,16-19,21-23H,1,5-15,20H2,2-3H3