3-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 3-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]hexanoic acid Openeye Name: 3-[[6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carbonyl]amino]hexanoic acid CAS Name: 3-[[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 3-[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonyl]amino]hexanoic acid Traditional Name: 3-[[6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinoyl]amino]hexanoic acid Formula: C28H32BrN3O4 MolecularWeight: 554.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32BrN3O4/c1-3-8-24(16-27(33)34)31-28(35)21-11-14-26(30-17-21)32(4-2)18-22-15-23(29)12-13-25(22)36-19-20-9-6-5-7-10-20/h5-7,9-15,17,24H,3-4,8,16,18-19H2,1-2H3,(H,31,35)(H,33,34)