2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[2-(methylamino)pentan-3-ylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[2-(methylamino)pentan-3-ylamino]pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[[1-ethyl-2-(methylamino)propyl]amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[2-(methylamino)pentan-3-ylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[2-(methylamino)pentan-3-ylamino]pyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[[1-ethyl-2-(methylamino)propyl]amino]-6-methyl-nicotinic acid Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)NC)NC1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2C)Cl)C)C

Isomeric SMILES

CCC(C(C)NC)NC1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2C)Cl)C)C

InChI

InChI=1S/C21H28ClN3O3/c1-7-16(14(5)23-6)25-17-10-13(4)24-20(18(17)21(26)27)28-19-11(2)8-15(22)9-12(19)3/h8-10,14,16,23H,7H2,1-6H3,(H,24,25)(H,26,27)