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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C36H47N3O3 MolecularWeight: 569.77668

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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)OC(C)CCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C36H47N3O3/c1-4-6-8-10-11-12-13-15-17-29-26-38-35(39-27-29)30-18-21-33(22-19-30)42-36(40)31-20-23-34(32(24-31)25-37)41-28(3)16-14-9-7-5-2/h18-24,26-28H,4-17H2,1-3H3