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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(4-methylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-isohexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-methylpentyl)carbamic acid (2-methoxy-5-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methylphenyl) N-(4-methylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isohexylcarbamic acid (2-methoxy-5-methyl-phenyl) ester Formula: C28H41NO7 MolecularWeight: 503.62764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO3.C13H18O4/c1-11(2)6-5-9-16-15(17)19-14-10-12(3)7-8-13(14)18-4;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)