2-(4-bromanyl-2,6-dimethyl-phenoxy)-4-[(1-methoxybutan-2-ylamino)methyl]pyridine-3-carboxylic acid

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-4-[(1-methoxybutan-2-ylamino)methyl]pyridine-3-carboxylic acid Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-4-[[1-(methoxymethyl)propylamino]methyl]pyridine-3-carboxylic acid CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-4-[(1-methoxybutan-2-ylamino)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-4-[(1-methoxybutan-2-ylamino)methyl]pyridine-3-carboxylic acid Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-4-[[1-(methoxymethyl)propylamino]methyl]nicotinic acid Formula: C20H25BrN2O4 MolecularWeight: 437.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)NCC1=C(C(=NC=C1)OC2=C(C=C(C=C2C)Br)C)C(=O)O

Isomeric SMILES

CCC(COC)NCC1=C(C(=NC=C1)OC2=C(C=C(C=C2C)Br)C)C(=O)O

InChI

InChI=1S/C20H25BrN2O4/c1-5-16(11-26-4)23-10-14-6-7-22-19(17(14)20(24)25)27-18-12(2)8-15(21)9-13(18)3/h6-9,16,23H,5,10-11H2,1-4H3,(H,24,25)