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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(4-phenoxybutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(4-phenoxybutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-phenoxybutyl)carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-(4-phenoxybutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(4-phenoxybutyl)carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C31H38N2O9 MolecularWeight: 582.64142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=C(C=C(C=C1)OC(=O)NCCCCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=C(C=C(C=C1)OC(=O)NCCCCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5.C13H18O4/c1-14-9-10-16(13-17(14)20(22)23)25-18(21)19-11-5-6-12-24-15-7-3-2-4-8-15;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)