2-ethoxy-3-[4-[2-[3-methylbutyl(phenethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[3-methylbutyl(phenethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[isopentyl(phenethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[3-methylbutyl-[oxo-(phenethylamino)methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[3-methylbutyl(phenethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[isoamyl(phenethylcarbamoyl)amino]ethoxy]phenyl]propionic acid Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN(CCC(C)C)C(=O)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN(CCC(C)C)C(=O)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H38N2O5/c1-4-33-25(26(30)31)20-23-10-12-24(13-11-23)34-19-18-29(17-15-21(2)3)27(32)28-16-14-22-8-6-5-7-9-22/h5-13,21,25H,4,14-20H2,1-3H3,(H,28,32)(H,30,31)