2-ethoxy-3-[4-[2-[(4-nitrophenyl)methoxycarbonylamino]nonoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[(4-nitrophenyl)methoxycarbonylamino]nonoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[(4-nitrophenyl)methoxycarbonylamino]nonoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]nonoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[(4-nitrophenyl)methoxycarbonylamino]nonoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[(4-nitrobenzyl)oxycarbonylamino]nonoxy]phenyl]propionic acid Formula: C28H38N2O8 MolecularWeight: 530.60992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(COC1=CC=C(C=C1)CC(C(=O)O)OCC)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(COC1=CC=C(C=C1)CC(C(=O)O)OCC)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H38N2O8/c1-3-5-6-7-8-9-23(29-28(33)38-19-22-10-14-24(15-11-22)30(34)35)20-37-25-16-12-21(13-17-25)18-26(27(31)32)36-4-2/h10-17,23,26H,3-9,18-20H2,1-2H3,(H,29,33)(H,31,32)