4-[4-(6-azanyl-5-oxidanyl-pyridin-3-yl)phenyl]carbonyl-2,6-dimethyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[4-(6-azanyl-5-oxidanyl-pyridin-3-yl)phenyl]carbonyl-2,6-dimethyl-piperazine-1-carboxylic acid Openeye Name: 4-[4-(6-amino-5-hydroxy-3-pyridyl)benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid CAS Name: 4-[[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-oxomethyl]-2,6-dimethyl-1-piperazinecarboxylic acid IUPAC Name: 4-[4-(6-amino-5-hydroxypyridin-3-yl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid Traditional Name: 4-[4-(6-amino-5-hydroxy-3-pyridyl)benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)O)C)C(=O)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)O

Isomeric SMILES

CC1CN(CC(N1C(=O)O)C)C(=O)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)O

InChI

InChI=1S/C19H22N4O4/c1-11-9-22(10-12(2)23(11)19(26)27)18(25)14-5-3-13(4-6-14)15-7-16(24)17(20)21-8-15/h3-8,11-12,24H,9-10H2,1-2H3,(H2,20,21)(H,26,27)