2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(4-methylpentyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(4-methylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-isohexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-methylpentyl)carbamic acid phenethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(4-methylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isohexylcarbamic acid phenethyl ester Formula: C28H41NO6 MolecularWeight: 487.62824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C15H23NO2.C13H18O4/c1-13(2)7-6-11-16-15(17)18-12-10-14-8-4-3-5-9-14;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)