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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methylphenyl) N-(4-phenylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; m-tolyl N-(4-phenylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-phenylbutyl)carbamic acid (3-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methylphenyl) N-(4-phenylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(4-phenylbutyl)carbamic acid m-tolyl ester Formula: C31H39NO6 MolecularWeight: 521.64446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=CC=C1)OC(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=CC=C1)OC(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2.C13H18O4/c1-15-8-7-12-17(14-15)21-18(20)19-13-6-5-11-16-9-3-2-4-10-16;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,19,20);5-8,12H,3-4,9H2,1-2H3,(H,14,15)