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

Systemtic Name: 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid Openeye Name: 4-(1-ethylpropylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid CAS Name: 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)-3-pyridinecarboxylic acid IUPAC Name: 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid Traditional Name: 4-(1-ethylpropylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)nicotinic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-7-16(8-2)23-17-11-15(6)22-20(18(17)21(24)25)26-19-13(4)9-12(3)10-14(19)5/h9-11,16H,7-8H2,1-6H3,(H,22,23)(H,24,25)