2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2,4,5-trimethylphenyl) carbamate

Systemtic Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2,4,5-trimethylphenyl) carbamate Openeye Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2,4,5-trimethylphenyl) carbamate CAS Name: carbamic acid (2,4,5-trimethylphenyl) ester; 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2,4,5-trimethylphenyl) carbamate Traditional Name: carbamic acid (2,4,5-trimethylphenyl) ester; 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propionic acid Formula: C29H43NO6 MolecularWeight: 501.65482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=C(C=C1C)OC(=O)N)C

Isomeric SMILES

CCC(CC)CCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=C(C=C1C)OC(=O)N)C

InChI

InChI=1S/C19H30O4.C10H13NO2/c1-4-15(5-2)8-7-13-23-17-11-9-16(10-12-17)14-18(19(20)21)22-6-3;1-6-4-8(3)9(5-7(6)2)13-10(11)12/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,20,21);4-5H,1-3H3,(H2,11,12)