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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-pentylcarbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-pentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-pentylcarbamic acid (3-methoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-pentylcarbamate Traditional Name: N-amylcarbamic acid (3-methoxyphenyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C26H37NO7 MolecularWeight: 475.57448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3.C13H18O4/c1-3-4-5-9-14-13(15)17-12-8-6-7-11(10-12)16-2;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h6-8,10H,3-5,9H2,1-2H3,(H,14,15);5-8,12H,3-4,9H2,1-2H3,(H,14,15)