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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[(pentan-3-ylamino)methyl]pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(1-ethylpropylamino)methyl]pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(pentan-3-ylamino)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(pentan-3-ylamino)methyl]pyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(1-ethylpropylamino)methyl]nicotinic acid Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=C(C(=NC=C1)OC2=C(C=C(C=C2C)Cl)C)C(=O)O

Isomeric SMILES

CCC(CC)NCC1=C(C(=NC=C1)OC2=C(C=C(C=C2C)Cl)C)C(=O)O

InChI

InChI=1S/C20H25ClN2O3/c1-5-16(6-2)23-11-14-7-8-22-19(17(14)20(24)25)26-18-12(3)9-15(21)10-13(18)4/h7-10,16,23H,5-6,11H2,1-4H3,(H,24,25)