2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (4-methyl-3-nitro-phenyl) carbamate

Systemtic Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (4-methyl-3-nitro-phenyl) carbamate Openeye Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (4-methyl-3-nitro-phenyl) carbamate CAS Name: carbamic acid (4-methyl-3-nitrophenyl) ester; 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (4-methyl-3-nitrophenyl) carbamate Traditional Name: carbamic acid (4-methyl-3-nitro-phenyl) ester; 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propionic acid Formula: C27H38N2O8 MolecularWeight: 518.59922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=C(C=C(C=C1)OC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)CCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=C(C=C(C=C1)OC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H30O4.C8H8N2O4/c1-4-15(5-2)8-7-13-23-17-11-9-16(10-12-17)14-18(19(20)21)22-6-3;1-5-2-3-6(14-8(9)11)4-7(5)10(12)13/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,20,21);2-4H,1H3,(H2,9,11)