[4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C34H43N3O3 MolecularWeight: 541.72352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

InChI

InChI=1S/C34H43N3O3/c1-4-6-8-10-11-13-15-27-24-36-33(37-25-27)28-16-19-31(20-17-28)40-34(38)29-18-21-32(30(22-29)23-35)39-26(3)14-12-9-7-5-2/h16-22,24-26H,4-15H2,1-3H3