2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methylphenyl) N-(3-propoxypropyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methylphenyl) N-(3-propoxypropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; o-tolyl N-(3-propoxypropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-propoxypropyl)carbamic acid (2-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methylphenyl) N-(3-propoxypropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(3-propoxypropyl)carbamic acid o-tolyl ester Formula: C27H39NO7 MolecularWeight: 489.60106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCNC(=O)OC1=CC=CC=C1C.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCOCCCNC(=O)OC1=CC=CC=C1C.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C14H21NO3.C13H18O4/c1-3-10-17-11-6-9-15-14(16)18-13-8-5-4-7-12(13)2;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)