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

Systemtic Name: phenyl 4-heptyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-heptyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-heptyl-4-(5-propyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-heptyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-heptyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO2/c1-3-5-6-7-11-19-28(26-16-15-23(12-4-2)22-29-26)20-17-24(18-21-28)27(30)31-25-13-9-8-10-14-25/h8-10,13-16,22,24H,3-7,11-12,17-21H2,1-2H3