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

Systemtic Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dec-6-enoate Openeye Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dec-6-enoate CAS Name: (E)-6-decenoic acid [2-[4-[3-(1-oxopropoxy)butyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dec-6-enoate Traditional Name: (E)-dec-6-enoic acid [2-[4-(3-propionyloxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-4-6-7-8-9-10-11-12-26(31)33-24-19-28-27(29-20-24)23-17-15-22(16-18-23)14-13-21(3)32-25(30)5-2/h7-8,15-21H,4-6,9-14H2,1-3H3/b8-7+