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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

InChI

InChI=1S/C31H37N3O3/c1-4-6-8-10-11-23(3)36-29-18-15-26(19-27(29)20-32)31(35)37-28-16-13-25(14-17-28)30-33-21-24(22-34-30)12-9-7-5-2/h13-19,21-23H,4-12H2,1-3H3