2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(3-phenylpropyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(3-phenylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(3-phenylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-phenylpropyl)carbamic acid methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(3-phenylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(3-phenylpropyl)carbamic acid methyl ester Formula: C24H33NO6 MolecularWeight: 431.52192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COC(=O)NCCCC1=CC=CC=C1

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COC(=O)NCCCC1=CC=CC=C1

InChI

InChI=1S/C13H18O4.C11H15NO2/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);2-4,6-7H,5,8-9H2,1H3,(H,12,13)