2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-pentylcarbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-pentylcarbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-pentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-pentylcarbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-pentylcarbamate Traditional Name: N-amylcarbamic acid (4-methyl-3-nitro-phenyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C26H36N2O8 MolecularWeight: 504.57264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)OC1=CC(=C(C=C1)C)[N+](=O)[O-].CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCNC(=O)OC1=CC(=C(C=C1)C)[N+](=O)[O-].CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C13H18N2O4.C13H18O4/c1-3-4-5-8-14-13(16)19-11-7-6-10(2)12(9-11)15(17)18;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)