[4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-nonyl-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-nonyl-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-nonyl-benzoate CAS Name: 3-cyano-4-nonylbenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-nonylbenzoate Traditional Name: 3-cyano-4-nonyl-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C34H43N3O2 MolecularWeight: 525.72412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N

InChI

InChI=1S/C34H43N3O2/c1-3-5-7-9-10-12-14-16-28-17-18-30(23-31(28)24-35)34(38)39-32-21-19-29(20-22-32)33-36-25-27(26-37-33)15-13-11-8-6-4-2/h17-23,25-26H,3-16H2,1-2H3