2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(3-phenylpropyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(3-phenylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(3-phenylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-phenylpropyl)carbamic acid (2-methoxy-5-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methylphenyl) N-(3-phenylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(3-phenylpropyl)carbamic acid (2-methoxy-5-methyl-phenyl) 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.CC1=CC(=C(C=C1)OC)OC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=C(C=C1)OC)OC(=O)NCCCC2=CC=CC=C2

InChI

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