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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(2-ethylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(2-ethylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-ethylbutyl)carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-(2-ethylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(2-ethylbutyl)carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C27H38N2O8 MolecularWeight: 518.59922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4.C13H18O4/c1-4-11(5-2)9-15-14(17)20-12-7-6-10(3)13(8-12)16(18)19;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h6-8,11H,4-5,9H2,1-3H3,(H,15,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)