2-(4-chloranyl-2-methoxy-phenoxy)-6-methyl-4-(1-oxidanylbutan-2-ylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2-methoxy-phenoxy)-6-methyl-4-(1-oxidanylbutan-2-ylamino)pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2-methoxy-phenoxy)-4-[1-(hydroxymethyl)propylamino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2-methoxyphenoxy)-4-(1-hydroxybutan-2-ylamino)-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2-methoxyphenoxy)-4-(1-hydroxybutan-2-ylamino)-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2-methoxy-phenoxy)-6-methyl-4-(1-methylolpropylamino)nicotinic acid Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2)Cl)OC)C

Isomeric SMILES

CCC(CO)NC1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2)Cl)OC)C

InChI

InChI=1S/C18H21ClN2O5/c1-4-12(9-22)21-13-7-10(2)20-17(16(13)18(23)24)26-14-6-5-11(19)8-15(14)25-3/h5-8,12,22H,4,9H2,1-3H3,(H,20,21)(H,23,24)