[2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-6-enoate

Systemtic Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-6-enoate Openeye Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-6-enoate CAS Name: (E)-6-octenoic acid [2-[4-[3-(1-oxopropoxy)butyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-6-enoate Traditional Name: (E)-oct-6-enoic acid [2-[4-(3-propionyloxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)CCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC=CC

Isomeric SMILES

CCC(=O)OC(C)CCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC/C=C/C

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/h4,6,13-19H,5,7-12H2,1-3H3/b6-4+