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

Systemtic Name: [2-(2-cyano-2-methyl-hexoxy)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: [2-(2-cyano-2-methyl-hexoxy)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)benzoic acid [2-(2-cyano-2-methylhexoxy)phenyl] ester IUPAC Name: [2-(2-cyano-2-methylhexoxy)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)benzoic acid [2-(2-cyano-2-methyl-hexoxy)phenyl] ester Formula: C35H45N3O3 MolecularWeight: 555.7501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCC(C)(CCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCC(C)(CCCC)C#N

InChI

InChI=1S/C35H45N3O3/c1-4-6-8-9-10-11-12-13-16-28-24-37-33(38-25-28)29-19-21-30(22-20-29)34(39)41-32-18-15-14-17-31(32)40-27-35(3,26-36)23-7-5-2/h14-15,17-22,24-25H,4-13,16,23,27H2,1-3H3