[2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] non-8-enoate

Systemtic Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] non-8-enoate Openeye Name: [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] non-8-enoate CAS Name: 8-nonenoic acid [2-[4-(3-acetyloxybutyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] non-8-enoate Traditional Name: non-8-enoic acid [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-4-5-6-7-8-9-10-24(29)31-23-17-26-25(27-18-23)22-15-13-21(14-16-22)12-11-19(2)30-20(3)28/h4,13-19H,1,5-12H2,2-3H3