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

Systemtic Name: methyl 6-[[5-bromanyl-2-[(3-methylfuran-2-yl)methoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 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-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 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]nicotinic acid methyl ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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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)OC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=C(C=CO2)C)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23BrN2O4/c1-4-25(21-8-5-16(12-24-21)22(26)27-3)13-17-11-18(23)6-7-19(17)29-14-20-15(2)9-10-28-20/h5-12H,4,13-14H2,1-3H3