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

Systemtic Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] (E)-undec-3-enoate Openeye Name: [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] (E)-undec-3-enoate CAS Name: (E)-3-undecenoic acid [2-[4-(3-acetyloxybutyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] (E)-undec-3-enoate Traditional Name: (E)-undec-3-enoic acid [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-4-5-6-7-8-9-10-11-12-26(31)33-25-19-28-27(29-20-25)24-17-15-23(16-18-24)14-13-21(2)32-22(3)30/h10-11,15-21H,4-9,12-14H2,1-3H3/b11-10+