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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2.C13H18O4/c1-11(2)7-6-8-17-16(18)19-15-13(4)9-12(3)10-14(15)5;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h9-11H,6-8H2,1-5H3,(H,17,18);5-8,12H,3-4,9H2,1-2H3,(H,14,15)