2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(2-ethylbutyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(2-ethylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(2-ethylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-ethylbutyl)carbamic acid (2,4,6-trimethylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(2-ethylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(2-ethylbutyl)carbamic acid mesityl ester Formula: C29H43NO6 MolecularWeight: 501.65482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)OC1=C(C=C(C=C1C)C)C.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCC(CC)CNC(=O)OC1=C(C=C(C=C1C)C)C.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C16H25NO2.C13H18O4/c1-6-14(7-2)10-17-16(18)19-15-12(4)8-11(3)9-13(15)5;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h8-9,14H,6-7,10H2,1-5H3,(H,17,18);5-8,12H,3-4,9H2,1-2H3,(H,14,15)