1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-(2-piperazin-1-ylethyl)pyridine-3-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-(2-piperazin-1-ylethyl)pyridine-3-carboxylic acid Openeye Name: 1-(4-hydroxy-2-methyl-phenyl)-4-oxo-6-(2-piperazin-1-ylethyl)pyridine-3-carboxylic acid CAS Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-[2-(1-piperazinyl)ethyl]-3-pyridinecarboxylic acid IUPAC Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-(2-piperazin-1-ylethyl)pyridine-3-carboxylic acid Traditional Name: 1-(4-hydroxy-2-methyl-phenyl)-4-keto-6-(2-piperazinoethyl)nicotinic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CCN3CCNCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CCN3CCNCC3)C(=O)O

InChI

InChI=1S/C19H23N3O4/c1-13-10-15(23)2-3-17(13)22-12-16(19(25)26)18(24)11-14(22)4-7-21-8-5-20-6-9-21/h2-3,10-12,20,23H,4-9H2,1H3,(H,25,26)