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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(4-phenylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(4-phenylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-phenylbutyl)carbamic acid (2,4,6-trimethylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(4-phenylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(4-phenylbutyl)carbamic acid mesityl ester Formula: C33H43NO6 MolecularWeight: 549.69762

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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)NCCCCC2=CC=CC=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=C(C(=C1)C)OC(=O)NCCCCC2=CC=CC=C2)C

InChI

InChI=1S/C20H25NO2.C13H18O4/c1-15-13-16(2)19(17(3)14-15)23-20(22)21-12-8-7-11-18-9-5-4-6-10-18;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,21,22);5-8,12H,3-4,9H2,1-2H3,(H,14,15)