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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(4-phenylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(4-phenylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-phenylbutyl)carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-(4-phenylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(4-phenylbutyl)carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C31H38N2O8 MolecularWeight: 566.64202

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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)NCCCCC2=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)NCCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4.C13H18O4/c1-14-10-11-16(13-17(14)20(22)23)24-18(21)19-12-6-5-9-15-7-3-2-4-8-15;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,19,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)