methyl 2-(4-bromanyl-2,6-dimethyl-phenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate

Systemtic Name: methyl 2-(4-bromanyl-2,6-dimethyl-phenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate Openeye Name: methyl 2-(4-bromo-2,6-dimethyl-phenoxy)-4-(1-ethylpropylamino)-6-methyl-pyridine-3-carboxylate CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-6-methyl-4-(pentan-3-ylamino)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-bromo-2,6-dimethylphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-4-(1-ethylpropylamino)-6-methyl-nicotinic acid methyl ester Formula: C21H27BrN2O3 MolecularWeight: 435.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=CC(=NC(=C1C(=O)OC)OC2=C(C=C(C=C2C)Br)C)C

Isomeric SMILES

CCC(CC)NC1=CC(=NC(=C1C(=O)OC)OC2=C(C=C(C=C2C)Br)C)C

InChI

InChI=1S/C21H27BrN2O3/c1-7-16(8-2)24-17-11-14(5)23-20(18(17)21(25)26-6)27-19-12(3)9-15(22)10-13(19)4/h9-11,16H,7-8H2,1-6H3,(H,23,24)