[2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-non-2-enoate

Systemtic Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-non-2-enoate Openeye Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-non-2-enoate CAS Name: (E)-2-nonenoic acid [2-[4-[3-(1-oxopropoxy)butyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-non-2-enoate Traditional Name: (E)-non-2-enoic acid [2-[4-(3-propionyloxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C26H34N2O4 MolecularWeight: 438.55916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(C)OC(=O)CC

Isomeric SMILES

CCCCCC/C=C/C(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(C)OC(=O)CC

InChI

InChI=1S/C26H34N2O4/c1-4-6-7-8-9-10-11-25(30)32-23-18-27-26(28-19-23)22-16-14-21(15-17-22)13-12-20(3)31-24(29)5-2/h10-11,14-20H,4-9,12-13H2,1-3H3/b11-10+