2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[(cyclopropylamino)methyl-propyl-amino]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[(cyclopropylamino)methyl-propyl-amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(cyclopropylamino)methyl-propyl-amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(cyclopropylamino)methyl-propylamino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(cyclopropylamino)methyl-propylamino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(cyclopropylamino)methyl-propyl-amino]-6-methyl-nicotinic acid Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CNC1CC1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

Isomeric SMILES

CCCN(CNC1CC1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

InChI

InChI=1S/C22H28ClN3O3/c1-5-8-26(12-24-17-6-7-17)18-11-15(4)25-21(19(18)22(27)28)29-20-13(2)9-16(23)10-14(20)3/h9-11,17,24H,5-8,12H2,1-4H3,(H,27,28)