2-ethoxy-3-[4-[2-[(4-methyl-3-nitro-phenoxy)carbonylamino]octoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[(4-methyl-3-nitro-phenoxy)carbonylamino]octoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[(4-methyl-3-nitro-phenoxy)carbonylamino]octoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[[(4-methyl-3-nitrophenoxy)-oxomethyl]amino]octoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[(4-methyl-3-nitrophenoxy)carbonylamino]octoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[(4-methyl-3-nitro-phenoxy)carbonylamino]octoxy]phenyl]propionic acid Formula: C27H36N2O8 MolecularWeight: 516.58334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=CC=C(C=C1)CC(C(=O)O)OCC)NC(=O)OC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(COC1=CC=C(C=C1)CC(C(=O)O)OCC)NC(=O)OC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C27H36N2O8/c1-4-6-7-8-9-21(28-27(32)37-23-13-10-19(3)24(17-23)29(33)34)18-36-22-14-11-20(12-15-22)16-25(26(30)31)35-5-2/h10-15,17,21,25H,4-9,16,18H2,1-3H3,(H,28,32)(H,30,31)