6-methyl-4-(2-oxidanylpentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid

Systemtic Name: 6-methyl-4-(2-oxidanylpentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid Openeye Name: 4-[(1-ethyl-2-hydroxy-propyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid CAS Name: 4-(2-hydroxypentan-3-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)-3-pyridinecarboxylic acid IUPAC Name: 4-(2-hydroxypentan-3-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid Traditional Name: 4-[(1-ethyl-2-hydroxy-propyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)nicotinic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-7-16(15(6)24)23-17-10-14(5)22-20(18(17)21(25)26)27-19-12(3)8-11(2)9-13(19)4/h8-10,15-16,24H,7H2,1-6H3,(H,22,23)(H,25,26)