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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCC

InChI

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