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

Systemtic Name: phenyl 4-(5-butylpyridin-2-yl)-4-pentyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-butyl-2-pyridyl)-4-pentyl-cyclohexanecarboxylate CAS Name: 4-(5-butyl-2-pyridinyl)-4-pentyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-butylpyridin-2-yl)-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-(5-butyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C27H37NO2 MolecularWeight: 407.58818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCC

Isomeric SMILES

CCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCC

InChI

InChI=1S/C27H37NO2/c1-3-5-10-18-27(25-15-14-22(21-28-25)11-6-4-2)19-16-23(17-20-27)26(29)30-24-12-8-7-9-13-24/h7-9,12-15,21,23H,3-6,10-11,16-20H2,1-2H3