6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]pyridine-3-carboxylate

Systemtic Name: 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]pyridine-3-carboxylate Openeye Name: 6-[2-(2-benzyloxy-5-bromo-phenyl)ethylamino]pyridine-3-carboxylate CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]-3-pyridinecarboxylate IUPAC Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]pyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethylamino]nicotinate Formula: C21H18BrN2O3- MolecularWeight: 426.28322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCNC3=NC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCNC3=NC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H19BrN2O3/c22-18-7-8-19(27-14-15-4-2-1-3-5-15)16(12-18)10-11-23-20-9-6-17(13-24-20)21(25)26/h1-9,12-13H,10-11,14H2,(H,23,24)(H,25,26)/p-1