2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-octylcarbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-octylcarbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-octylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-octylcarbamic acid (3-methoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-octylcarbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-octylcarbamic acid (3-methoxyphenyl) ester Formula: C29H43NO7 MolecularWeight: 517.65422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)OC1=CC(=CC=C1)OC.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCCNC(=O)OC1=CC(=CC=C1)OC.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C16H25NO3.C13H18O4/c1-3-4-5-6-7-8-12-17-16(18)20-15-11-9-10-14(13-15)19-2;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h9-11,13H,3-8,12H2,1-2H3,(H,17,18);5-8,12H,3-4,9H2,1-2H3,(H,14,15)