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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(2-pentoxyethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(2-pentoxyethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-pentoxyethyl)carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-(2-pentoxyethyl)carbamate Traditional Name: N-(2-amoxyethyl)carbamic acid (4-methyl-3-nitro-phenyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C28H40N2O9 MolecularWeight: 548.6252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5.C13H18O4/c1-3-4-5-9-21-10-8-16-15(18)22-13-7-6-12(2)14(11-13)17(19)20;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18);5-8,12H,3-4,9H2,1-2H3,(H,14,15)