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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-(4-methylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-isohexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-methylpentyl)carbamic acid (3-methoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-methoxyphenyl) N-(4-methylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isohexylcarbamic acid (3-methoxyphenyl) ester Formula: C27H39NO7 MolecularWeight: 489.60106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OC1=CC(=CC=C1)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OC1=CC(=CC=C1)OC

InChI

InChI=1S/C14H21NO3.C13H18O4/c1-11(2)6-5-9-15-14(16)18-13-8-4-7-12(10-13)17-3;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)