2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-propylpentyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-propylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-propylpentyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-propylpentyl)carbamic acid (2,4,5-trimethylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-propylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(2-propylpentyl)carbamic acid (2,4,5-trimethylphenyl) ester Formula: C31H47NO6 MolecularWeight: 529.70798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2.C13H18O4/c1-6-8-16(9-7-2)12-19-18(20)21-17-11-14(4)13(3)10-15(17)5;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h10-11,16H,6-9,12H2,1-5H3,(H,19,20);5-8,12H,3-4,9H2,1-2H3,(H,14,15)