2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[1-(2-hydroxyethylamino)butan-2-ylamino]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[1-(2-hydroxyethylamino)butan-2-ylamino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[1-[(2-hydroxyethylamino)methyl]propylamino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[1-(2-hydroxyethylamino)butan-2-ylamino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[1-(2-hydroxyethylamino)butan-2-ylamino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[1-[(2-hydroxyethylamino)methyl]propylamino]-6-methyl-nicotinic acid Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O4/c1-5-16(11-23-6-7-26)25-17-10-14(4)24-20(18(17)21(27)28)29-19-12(2)8-15(22)9-13(19)3/h8-10,16,23,26H,5-7,11H2,1-4H3,(H,24,25)(H,27,28)