3-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 3-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]hexanoic acid Openeye Name: 3-[[1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]hexanoic acid CAS Name: 3-[[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: 3-[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]hexanoic acid Traditional Name: 3-[[1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]hexanoic acid Formula: C28H34BrN3O4 MolecularWeight: 556.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)NC(=O)C1=CC=C(N(C1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

Isomeric SMILES

CCCC(CC(=O)O)NC(=O)C1=CC=C(N(C1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

InChI

InChI=1S/C28H34BrN3O4/c1-3-8-24(16-27(33)34)31-28(35)21-11-14-26(30-4-2)32(17-21)18-22-15-23(29)12-13-25(22)36-19-20-9-6-5-7-10-20/h5-7,9-15,24,30H,3-4,8,16-19H2,1-2H3,(H,31,35)(H,33,34)