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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C34H43N3O3 MolecularWeight: 541.72352

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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)OCCCCCC)C#N

Isomeric SMILES

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

InChI

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