6-[4-[(2-acetamido-3-methyl-pentanoyl)amino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[(2-acetamido-3-methyl-pentanoyl)amino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-[(2-acetamido-3-methyl-pentanoyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-[(2-acetamido-3-methyl-1-oxopentyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-[(2-acetamido-3-methylpentanoyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[4-[(2-acetamido-3-methyl-pentanoyl)amino]phenyl]-2-keto-1H-pyridine-3-carboxylic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O)NC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O)NC(=O)C

InChI

InChI=1S/C20H23N3O5/c1-4-11(2)17(21-12(3)24)19(26)22-14-7-5-13(6-8-14)16-10-9-15(20(27)28)18(25)23-16/h5-11,17H,4H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)