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

Systemtic Name: 2-ethoxy-3-[4-[4-methyl-2-[(4-methyl-3-nitro-phenoxy)carbonylamino]pentoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[4-methyl-2-[(4-methyl-3-nitro-phenoxy)carbonylamino]pentoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[4-methyl-2-[[(4-methyl-3-nitrophenoxy)-oxomethyl]amino]pentoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[4-methyl-2-[(4-methyl-3-nitrophenoxy)carbonylamino]pentoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[4-methyl-2-[(4-methyl-3-nitro-phenoxy)carbonylamino]pentoxy]phenyl]propionic acid Formula: C25H32N2O8 MolecularWeight: 488.53018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCC(CC(C)C)NC(=O)OC2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCC(CC(C)C)NC(=O)OC2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H32N2O8/c1-5-33-23(24(28)29)13-18-7-10-20(11-8-18)34-15-19(12-16(2)3)26-25(30)35-21-9-6-17(4)22(14-21)27(31)32/h6-11,14,16,19,23H,5,12-13,15H2,1-4H3,(H,26,30)(H,28,29)