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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(4-methylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-isohexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-methylpentyl)carbamic acid methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(4-methylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isohexylcarbamic acid methyl 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.CC(C)CCCNC(=O)OC

Isomeric SMILES

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

InChI

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