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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C/CC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(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/h8-9,13-19H,4-7,10-12H2,1-3H3/b9-8+