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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(2-propylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(2-propylpentyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-propylpentyl)carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-(2-propylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(2-propylpentyl)carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C29H42N2O8 MolecularWeight: 546.65238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4.C13H18O4/c1-4-6-13(7-5-2)11-17-16(19)22-14-9-8-12(3)15(10-14)18(20)21;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h8-10,13H,4-7,11H2,1-3H3,(H,17,19);5-8,12H,3-4,9H2,1-2H3,(H,14,15)