[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-13(7-8-14-5-3-2-4-6-14)21-17(22)12-24-18(23)15-9-10-16(19)20-11-15/h2-6,9-11,13H,7-8,12H2,1H3,(H,21,22)