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

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

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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)NCCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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