methyl 6-[[5-bromanyl-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[5-bromanyl-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[5-bromo-2-(2-thienylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(2-thenyloxy)benzyl]-ethyl-amino]nicotinic acid methyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CS2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CS2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21BrN2O3S/c1-3-24(20-9-6-15(12-23-20)21(25)26-2)13-16-11-17(22)7-8-19(16)27-14-18-5-4-10-28-18/h4-12H,3,13-14H2,1-2H3