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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)COC2=CC=CC(=C2)CCCN(C3=NC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=C(OC=C1)COC2=CC=CC(=C2)CCCN(C3=NC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C21H21BrN2O4/c1-15-9-11-27-19(15)14-28-18-6-2-4-16(12-18)5-3-10-24(22)20-8-7-17(13-23-20)21(25)26/h2,4,6-9,11-13H,3,5,10,14H2,1H3,(H,25,26)/p-1