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

Systemtic Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate Openeye Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [2-[4-[3-(1-oxopropoxy)butyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [2-[4-(3-propionyloxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-4-6-7-8-9-10-24(29)31-22-17-26-25(27-18-22)21-15-13-20(14-16-21)12-11-19(3)30-23(28)5-2/h9-10,13-19H,4-8,11-12H2,1-3H3/b10-9+