2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(4-phenylbutyl)carbamate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COCCOC(=O)NCCCCC1=CC=CC=C1

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COCCOC(=O)NCCCCC1=CC=CC=C1

InChI

InChI=1S/C14H21NO3.C13H18O4/c1-17-11-12-18-14(16)15-10-6-5-9-13-7-3-2-4-8-13;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-4,7-8H,5-6,9-12H2,1H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)