2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-(3-methylbutyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-(3-methylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-isopentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-methylbutyl)carbamic acid ethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-(3-methylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isoamylcarbamic acid ethyl ester Formula: C21H35NO6 MolecularWeight: 397.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CCOC(=O)NCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CCOC(=O)NCCC(C)C

InChI

InChI=1S/C13H18O4.C8H17NO2/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-4-11-8(10)9-6-5-7(2)3/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);7H,4-6H2,1-3H3,(H,9,10)