2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-(2-methoxypentan-3-ylamino)-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-(2-methoxypentan-3-ylamino)-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(1-ethyl-2-methoxy-propyl)amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-(2-methoxypentan-3-ylamino)-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-(2-methoxypentan-3-ylamino)-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(1-ethyl-2-methoxy-propyl)amino]-6-methyl-nicotinic acid Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4/c1-7-16(14(5)27-6)24-17-10-13(4)23-20(18(17)21(25)26)28-19-11(2)8-15(22)9-12(19)3/h8-10,14,16H,7H2,1-6H3,(H,23,24)(H,25,26)