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

Systemtic Name: phenyl 4-butyl-4-(5-heptylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-butyl-4-(5-heptyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-butyl-4-(5-heptyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-butyl-4-(5-heptylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-butyl-4-(5-heptyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C29H41NO2 MolecularWeight: 435.64134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

InChI

InChI=1S/C29H41NO2/c1-3-5-7-8-10-13-24-16-17-27(30-23-24)29(20-6-4-2)21-18-25(19-22-29)28(31)32-26-14-11-9-12-15-26/h9,11-12,14-17,23,25H,3-8,10,13,18-22H2,1-2H3