[4-(4-propylcyclohexyl)cyclohexyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [4-(4-propylcyclohexyl)cyclohexyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [4-(4-propylcyclohexyl)cyclohexyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-(4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-propylcyclohexyl)cyclohexyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-(4-propylcyclohexyl)cyclohexyl] ester Formula: C21H30BrNO2 MolecularWeight: 408.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H30BrNO2/c1-2-3-15-4-6-16(7-5-15)17-8-10-20(11-9-17)25-21(24)18-12-19(22)14-23-13-18/h12-17,20H,2-11H2,1H3