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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-methylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-isopentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-methylbutyl)carbamic acid 2-methoxyethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-methylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isoamylcarbamic acid 2-methoxyethyl ester Formula: C22H37NO7 MolecularWeight: 427.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCNC(=O)OCCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCNC(=O)OCCOC

InChI

InChI=1S/C13H18O4.C9H19NO3/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-8(2)4-5-10-9(11)13-7-6-12-3/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);8H,4-7H2,1-3H3,(H,10,11)