butyl 1-cyano-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: butyl 1-cyano-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexane-1-carboxylate Openeye Name: butyl 1-cyano-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexanecarboxylate CAS Name: 1-cyano-4-[4-(5-octyl-2-pyrimidinyl)phenyl]-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 1-cyano-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-cyano-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexanecarboxylic acid butyl ester Formula: C30H41N3O2 MolecularWeight: 475.66544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C(=O)OCCCC

InChI

InChI=1S/C30H41N3O2/c1-3-5-7-8-9-10-11-24-21-32-28(33-22-24)27-14-12-25(13-15-27)26-16-18-30(23-31,19-17-26)29(34)35-20-6-4-2/h12-15,21-22,26H,3-11,16-20H2,1-2H3