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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(3-phenoxypropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(3-phenoxypropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-phenoxypropyl)carbamic acid (2,4,6-trimethylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) N-(3-phenoxypropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(3-phenoxypropyl)carbamic acid mesityl ester Formula: C32H41NO7 MolecularWeight: 551.67044

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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)NCCCOC2=CC=CC=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=C(C(=C1)C)OC(=O)NCCCOC2=CC=CC=C2)C

InChI

InChI=1S/C19H23NO3.C13H18O4/c1-14-12-15(2)18(16(3)13-14)23-19(21)20-10-7-11-22-17-8-5-4-6-9-17;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)