4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-2-[4-(2-methoxyethoxy)-2,6-dimethyl-phenoxy]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-2-[4-(2-methoxyethoxy)-2,6-dimethyl-phenoxy]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-2-[4-(2-methoxyethoxy)-2,6-dimethyl-phenoxy]-6-methyl-pyridine-3-carboxylic acid CAS Name: 4-[hydroxymethyl-[3-(methylthio)propyl]amino]-2-[4-(2-methoxyethoxy)-2,6-dimethylphenoxy]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-2-[4-(2-methoxyethoxy)-2,6-dimethylphenoxy]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[4-(2-methoxyethoxy)-2,6-dimethyl-phenoxy]-6-methyl-4-[methylol-[3-(methylthio)propyl]amino]nicotinic acid Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)N(CCCSC)CO)C(=O)O)C)OCCOC

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)N(CCCSC)CO)C(=O)O)C)OCCOC

InChI

InChI=1S/C23H32N2O6S/c1-15-11-18(30-9-8-29-4)12-16(2)21(15)31-22-20(23(27)28)19(13-17(3)24-22)25(14-26)7-6-10-32-5/h11-13,26H,6-10,14H2,1-5H3,(H,27,28)