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

Systemtic Name: 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-6-ethoxy-pyridine-3-carboxylic acid Openeye Name: 2-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-6-ethoxy-pyridine-3-carboxylic acid CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-6-ethoxy-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-6-ethoxypyridine-3-carboxylic acid Traditional Name: 2-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-6-ethoxy-nicotinic acid Formula: C24H25BrN2O4 MolecularWeight: 485.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(C=CC(=N3)OCC)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(C=CC(=N3)OCC)C(=O)O

InChI

InChI=1S/C24H25BrN2O4/c1-3-27(23-20(24(28)29)11-13-22(26-23)30-4-2)15-18-14-19(25)10-12-21(18)31-16-17-8-6-5-7-9-17/h5-14H,3-4,15-16H2,1-2H3,(H,28,29)