(E)-5-[(2-bromanylpyridin-3-yl)methyl-phenylmethoxycarbonyl-amino]pent-2-enoic acid

Systemtic Name: (E)-5-[(2-bromanylpyridin-3-yl)methyl-phenylmethoxycarbonyl-amino]pent-2-enoic acid Openeye Name: (E)-5-[benzyloxycarbonyl-[(2-bromo-3-pyridyl)methyl]amino]pent-2-enoic acid CAS Name: (E)-5-[(2-bromo-3-pyridinyl)methyl-phenylmethoxycarbonylamino]-2-pentenoic acid IUPAC Name: (E)-5-[(2-bromopyridin-3-yl)methyl-phenylmethoxycarbonylamino]pent-2-enoic acid Traditional Name: (E)-5-[(2-bromo-3-pyridyl)methyl-carbobenzoxy-amino]pent-2-enoic acid Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCC=CC(=O)O)CC2=C(N=CC=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC/C=C/C(=O)O)CC2=C(N=CC=C2)Br

InChI

InChI=1S/C19H19BrN2O4/c20-18-16(9-6-11-21-18)13-22(12-5-4-10-17(23)24)19(25)26-14-15-7-2-1-3-8-15/h1-4,6-11H,5,12-14H2,(H,23,24)/b10-4+