6-[[5-bromanyl-2-[(3-methylfuran-2-yl)methoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylate

Systemtic Name: 6-[[5-bromanyl-2-[(3-methylfuran-2-yl)methoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: 6-[[5-bromo-2-[(3-methyl-2-furyl)methoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[[5-bromo-2-[(3-methyl-2-furanyl)methoxy]phenyl]methyl-ethylamino]-3-pyridinecarboxylate IUPAC Name: 6-[[5-bromo-2-[(3-methylfuran-2-yl)methoxy]phenyl]methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[[5-bromo-2-[(3-methyl-2-furyl)methoxy]benzyl]-ethyl-amino]nicotinate Formula: C21H20BrN2O4- MolecularWeight: 444.2985

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=C(C=CO2)C)C3=NC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=C(C=CO2)C)C3=NC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H21BrN2O4/c1-3-24(20-7-4-15(11-23-20)21(25)26)12-16-10-17(22)5-6-18(16)28-13-19-14(2)8-9-27-19/h4-11H,3,12-13H2,1-2H3,(H,25,26)/p-1