phenyl 4-(5-ethylpyridin-2-yl)-4-hexyl-cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CC

Isomeric SMILES

CCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CC

InChI

InChI=1S/C26H35NO2/c1-3-5-6-10-17-26(24-14-13-21(4-2)20-27-24)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