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

Systemtic Name: phenyl 4-butyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-butyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-butyl-4-(5-propyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-butyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-butyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCC

InChI

InChI=1S/C25H33NO2/c1-3-5-16-25(23-13-12-20(9-4-2)19-26-23)17-14-21(15-18-25)24(27)28-22-10-7-6-8-11-22/h6-8,10-13,19,21H,3-5,9,14-18H2,1-2H3