[4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]phenyl] nonanoate

Systemtic Name: [4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]phenyl] nonanoate Openeye Name: [4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]phenyl] nonanoate CAS Name: nonanoic acid [4-[2-[4-(2,6-dimethyl-1-oxoheptoxy)phenyl]-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]phenyl] ester Formula: C34H44N2O4 MolecularWeight: 544.72416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C34H44N2O4/c1-5-6-7-8-9-10-14-32(37)39-30-19-15-27(16-20-30)29-23-35-33(36-24-29)28-17-21-31(22-18-28)40-34(38)26(4)13-11-12-25(2)3/h15-26H,5-14H2,1-4H3