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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

InChI

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