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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methylphenyl) N-(4-methylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; o-tolyl N-isohexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-methylpentyl)carbamic acid (2-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methylphenyl) N-(4-methylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isohexylcarbamic acid o-tolyl ester Formula: C27H39NO6 MolecularWeight: 473.60166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC=CC=C1OC(=O)NCCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC=CC=C1OC(=O)NCCCC(C)C

InChI

InChI=1S/C14H21NO2.C13H18O4/c1-11(2)7-6-10-15-14(16)17-13-9-5-4-8-12(13)3;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)