2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(2-propylpentyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(2-propylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(2-propylpentyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-propylpentyl)carbamic acid 2-methoxyethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(2-propylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(2-propylpentyl)carbamic acid 2-methoxyethyl ester Formula: C25H43NO7 MolecularWeight: 469.61142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4.C12H25NO3/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-4-6-11(7-5-2)10-13-12(14)16-9-8-15-3/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);11H,4-10H2,1-3H3,(H,13,14)