6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-prop-2-enoxy-pyridine-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-prop-2-enoxy-pyridine-3-carboxylic acid Openeye Name: 2-allyloxy-6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-prop-2-enoxy-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-prop-2-enoxypyridine-3-carboxylic acid Traditional Name: 2-allyloxy-6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinic acid Formula: C25H25BrN2O4 MolecularWeight: 497.381

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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)O)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O4/c1-3-14-31-24-21(25(29)30)11-13-23(27-24)28(4-2)16-19-15-20(26)10-12-22(19)32-17-18-8-6-5-7-9-18/h3,5-13,15H,1,4,14,16-17H2,2H3,(H,29,30)