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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methylphenyl) N-(4-phenoxybutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; p-tolyl N-(4-phenoxybutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-phenoxybutyl)carbamic acid (4-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methylphenyl) N-(4-phenoxybutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(4-phenoxybutyl)carbamic acid p-tolyl ester Formula: C31H39NO7 MolecularWeight: 537.64386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC=C(C=C1)OC(=O)NCCCCOC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC=C(C=C1)OC(=O)NCCCCOC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3.C13H18O4/c1-15-9-11-17(12-10-15)22-18(20)19-13-5-6-14-21-16-7-3-2-4-8-16;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-4,7-12H,5-6,13-14H2,1H3,(H,19,20);5-8,12H,3-4,9H2,1-2H3,(H,14,15)