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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-nonyl-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-nonyl-benzoate CAS Name: 3-cyano-4-nonylbenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-nonylbenzoate Traditional Name: 3-cyano-4-nonyl-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C37H49N3O2 MolecularWeight: 567.80386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCCC)C#N

InChI

InChI=1S/C37H49N3O2/c1-3-5-7-9-11-13-14-16-18-30-28-39-36(40-29-30)32-22-24-35(25-23-32)42-37(41)33-21-20-31(34(26-33)27-38)19-17-15-12-10-8-6-4-2/h20-26,28-29H,3-19H2,1-2H3