5-[[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonylamino]-2-ethyl-6-methoxy-pyridine-3-carboxylic acid

Systemtic Name: 5-[[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonylamino]-2-ethyl-6-methoxy-pyridine-3-carboxylic acid Openeye Name: 5-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]amino]-2-ethyl-6-methoxy-pyridine-3-carboxylic acid CAS Name: 5-[[[4-(3,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-2-ethyl-6-methoxy-3-pyridinecarboxylic acid IUPAC Name: 5-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]amino]-2-ethyl-6-methoxypyridine-3-carboxylic acid Traditional Name: 5-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]amino]-2-ethyl-6-methoxy-nicotinic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1C(=O)O)NC(=O)N2CCN(CC2)C3=CC(=CC(=C3)C)C)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)O)NC(=O)N2CCN(CC2)C3=CC(=CC(=C3)C)C)OC

InChI

InChI=1S/C22H28N4O4/c1-5-18-17(21(27)28)13-19(20(23-18)30-4)24-22(29)26-8-6-25(7-9-26)16-11-14(2)10-15(3)12-16/h10-13H,5-9H2,1-4H3,(H,24,29)(H,27,28)