2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-methylbutyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-methylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-isopentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-methylbutyl)carbamic acid (4-phenoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-methylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isoamylcarbamic acid (4-phenoxyphenyl) ester Formula: C31H39NO7 MolecularWeight: 537.64386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCNC(=O)OC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCNC(=O)OC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3.C13H18O4/c1-14(2)12-13-19-18(20)22-17-10-8-16(9-11-17)21-15-6-4-3-5-7-15;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-11,14H,12-13H2,1-2H3,(H,19,20);5-8,12H,3-4,9H2,1-2H3,(H,14,15)