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

Systemtic Name: phenyl 4-heptyl-4-(5-heptylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-heptyl-4-(5-heptyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-heptyl-4-(5-heptyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-heptyl-4-(5-heptylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-heptyl-4-(5-heptyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C32H47NO2 MolecularWeight: 477.72108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47NO2/c1-3-5-7-9-12-16-27-19-20-30(33-26-27)32(23-15-10-8-6-4-2)24-21-28(22-25-32)31(34)35-29-17-13-11-14-18-29/h11,13-14,17-20,26,28H,3-10,12,15-16,21-25H2,1-2H3