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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(4-phenylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(4-phenylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-phenylbutyl)carbamic acid phenethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(4-phenylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(4-phenylbutyl)carbamic acid phenethyl ester Formula: C32H41NO6 MolecularWeight: 535.67104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)CCCCNC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)CCCCNC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C19H23NO2.C13H18O4/c21-19(22-16-14-18-11-5-2-6-12-18)20-15-8-7-13-17-9-3-1-4-10-17;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-6,9-12H,7-8,13-16H2,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)