[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H28N2O3/c1-4-19(2,3)15-7-9-16(10-8-15)21-17(22)13-24-18(23)14-6-5-11-20-12-14/h5-6,11-12,15-16H,4,7-10,13H2,1-3H3,(H,21,22)