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

Systemtic Name: methyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinic acid methyl ester Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23BrN2O3/c1-3-26(22-12-9-18(14-25-22)23(27)28-2)15-19-13-20(24)10-11-21(19)29-16-17-7-5-4-6-8-17/h4-14H,3,15-16H2,1-2H3