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

Systemtic Name: 2-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]pentanoic acid Openeye Name: 2-[[6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carbonyl]amino]pentanoic acid CAS Name: 2-[[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonyl]amino]pentanoic acid Traditional Name: 2-[[6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinoyl]amino]valeric acid Formula: C27H30BrN3O4 MolecularWeight: 540.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30BrN3O4/c1-3-8-23(27(33)34)30-26(32)20-11-14-25(29-16-20)31(4-2)17-21-15-22(28)12-13-24(21)35-18-19-9-6-5-7-10-19/h5-7,9-16,23H,3-4,8,17-18H2,1-2H3,(H,30,32)(H,33,34)