1-[2-(3-methylbutanoylamino)ethyl]-4-oxidanylidene-6-[oxidanyl(phenyl)methyl]pyridine-3-carboxylic acid

Systemtic Name: 1-[2-(3-methylbutanoylamino)ethyl]-4-oxidanylidene-6-[oxidanyl(phenyl)methyl]pyridine-3-carboxylic acid Openeye Name: 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxo-pyridine-3-carboxylic acid CAS Name: 6-[hydroxy(phenyl)methyl]-1-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid Traditional Name: 6-[hydroxy(phenyl)methyl]-1-[2-(isovalerylamino)ethyl]-4-keto-nicotinic acid Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCN1C=C(C(=O)C=C1C(C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NCCN1C=C(C(=O)C=C1C(C2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C20H24N2O5/c1-13(2)10-18(24)21-8-9-22-12-15(20(26)27)17(23)11-16(22)19(25)14-6-4-3-5-7-14/h3-7,11-13,19,25H,8-10H2,1-2H3,(H,21,24)(H,26,27)