3-[4-[2-[cyclobutylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[cyclobutylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[cyclobutylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[cyclobutylmethyl-[(4-methyl-3-nitrophenoxy)-oxomethyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[cyclobutylmethyl-(4-methyl-3-nitrophenoxy)carbonylamino]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[cyclobutylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C26H32N2O8 MolecularWeight: 500.54088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN(CC2CCC2)C(=O)OC3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN(CC2CCC2)C(=O)OC3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H32N2O8/c1-3-34-24(25(29)30)15-19-8-11-21(12-9-19)35-14-13-27(17-20-5-4-6-20)26(31)36-22-10-7-18(2)23(16-22)28(32)33/h7-12,16,20,24H,3-6,13-15,17H2,1-2H3,(H,29,30)