tert-butyl 6-chloranyl-2-(2-methylpropyl)-4-oxidanylidene-5-[oxidanyl(phenyl)methyl]-2,3-dihydropyridine-1-carboxylate

Systemtic Name: tert-butyl 6-chloranyl-2-(2-methylpropyl)-4-oxidanylidene-5-[oxidanyl(phenyl)methyl]-2,3-dihydropyridine-1-carboxylate Openeye Name: tert-butyl 6-chloro-5-[hydroxy(phenyl)methyl]-2-isobutyl-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: 6-chloro-5-[hydroxy(phenyl)methyl]-2-(2-methylpropyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-chloro-5-[hydroxy(phenyl)methyl]-2-(2-methylpropyl)-4-oxo-2,3-dihydropyridine-1-carboxylate Traditional Name: 6-chloro-5-[hydroxy(phenyl)methyl]-2-isobutyl-4-keto-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(=O)C(=C(N1C(=O)OC(C)(C)C)Cl)C(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC1CC(=O)C(=C(N1C(=O)OC(C)(C)C)Cl)C(C2=CC=CC=C2)O

InChI

InChI=1S/C21H28ClNO4/c1-13(2)11-15-12-16(24)17(18(25)14-9-7-6-8-10-14)19(22)23(15)20(26)27-21(3,4)5/h6-10,13,15,18,25H,11-12H2,1-5H3