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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxyphenyl) N-(3-methylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxyphenyl) N-isopentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-methylbutyl)carbamic acid (2-methoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxyphenyl) N-(3-methylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isoamylcarbamic acid (2-methoxyphenyl) ester Formula: C26H37NO7 MolecularWeight: 475.57448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCNC(=O)OC1=CC=CC=C1OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCNC(=O)OC1=CC=CC=C1OC

InChI

InChI=1S/C13H19NO3.C13H18O4/c1-10(2)8-9-14-13(15)17-12-7-5-4-6-11(12)16-3;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-7,10H,8-9H2,1-3H3,(H,14,15);5-8,12H,3-4,9H2,1-2H3,(H,14,15)