[2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] undec-10-enoate

Systemtic Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] undec-10-enoate Openeye Name: [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] undec-10-enoate CAS Name: 10-undecenoic acid [2-[4-(3-acetyloxybutyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] undec-10-enoate Traditional Name: undec-10-enoic acid [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCC=C)OC(=O)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCC=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/h4,15-21H,1,5-14H2,2-3H3