phenyl 4-butyl-4-(5-butylpyridin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-butyl-4-(5-butylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-butyl-4-(5-butyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-butyl-4-(5-butyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-butyl-4-(5-butylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-butyl-4-(5-butyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

InChI

InChI=1S/C26H35NO2/c1-3-5-10-21-13-14-24(27-20-21)26(17-6-4-2)18-15-22(16-19-26)25(28)29-23-11-8-7-9-12-23/h7-9,11-14,20,22H,3-6,10,15-19H2,1-2H3