4-[2-hydroxyethyl(thiophen-2-ylmethyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid

Systemtic Name: 4-[2-hydroxyethyl(thiophen-2-ylmethyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid Openeye Name: 4-[2-hydroxyethyl(2-thienylmethyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid CAS Name: 4-[2-hydroxyethyl(thiophen-2-ylmethyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)-3-pyridinecarboxylic acid IUPAC Name: 4-[2-hydroxyethyl(thiophen-2-ylmethyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid Traditional Name: 4-[2-hydroxyethyl(2-thenyl)amino]-6-methyl-2-(2,4,6-trimethylphenoxy)nicotinic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)N(CCO)CC3=CC=CS3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)N(CCO)CC3=CC=CS3)C(=O)O)C

InChI

InChI=1S/C23H26N2O4S/c1-14-10-15(2)21(16(3)11-14)29-22-20(23(27)28)19(12-17(4)24-22)25(7-8-26)13-18-6-5-9-30-18/h5-6,9-12,26H,7-8,13H2,1-4H3,(H,27,28)