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

Systemtic Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate Openeye Name: [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate CAS Name: (E)-3-octenoic acid [2-[4-(3-acetyloxybutyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate Traditional Name: (E)-oct-3-enoic acid [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-4-5-6-7-8-9-23(28)30-22-16-25-24(26-17-22)21-14-12-20(13-15-21)11-10-18(2)29-19(3)27/h7-8,12-18H,4-6,9-11H2,1-3H3/b8-7+