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

Systemtic Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-undec-4-enoate Openeye Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-undec-4-enoate CAS Name: (E)-4-undecenoic acid [2-[4-[3-(1-oxopropoxy)butyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-undec-4-enoate Traditional Name: (E)-undec-4-enoic acid [2-[4-(3-propionyloxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C28H38N2O4 MolecularWeight: 466.61232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O4/c1-4-6-7-8-9-10-11-12-13-27(32)34-25-20-29-28(30-21-25)24-18-16-23(17-19-24)15-14-22(3)33-26(31)5-2/h10-11,16-22H,4-9,12-15H2,1-3H3/b11-10+