[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2,6-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N2O3/c1-12(7-8-13-5-3-2-4-6-13)21-17(23)11-25-18(24)14-9-15(19)22-16(20)10-14/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,23)