[4-[4-(5-pentoxypyrimidin-2-yl)phenyl]phenyl] 2-cyanodecanoate

Systemtic Name: [4-[4-(5-pentoxypyrimidin-2-yl)phenyl]phenyl] 2-cyanodecanoate Openeye Name: [4-[4-(5-pentoxypyrimidin-2-yl)phenyl]phenyl] 2-cyanodecanoate CAS Name: 2-cyanodecanoic acid [4-[4-(5-pentoxy-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-pentoxypyrimidin-2-yl)phenyl]phenyl] 2-cyanodecanoate Traditional Name: 2-cyanocapric acid [4-[4-(5-amoxypyrimidin-2-yl)phenyl]phenyl] ester Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C#N)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCC

Isomeric SMILES

CCCCCCCCC(C#N)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCC

InChI

InChI=1S/C32H39N3O3/c1-3-5-7-8-9-10-12-28(22-33)32(36)38-29-19-17-26(18-20-29)25-13-15-27(16-14-25)31-34-23-30(24-35-31)37-21-11-6-4-2/h13-20,23-24,28H,3-12,21H2,1-2H3