3-[4-[3-[(4-ethoxyphenyl)carbamoyl-propyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid

Systemtic Name: 3-[4-[3-[(4-ethoxyphenyl)carbamoyl-propyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[3-[(4-ethoxyphenyl)carbamoyl-propyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[3-[[(4-ethoxyanilino)-oxomethyl]-propylamino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[3-[(4-ethoxyphenyl)carbamoyl-propylamino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 2-methyl-2-phenoxy-3-[4-[3-[p-phenetylcarbamoyl(propyl)amino]propoxy]phenyl]propionic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCOC1=CC=C(C=C1)CC(C)(C(=O)O)OC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCN(CCCOC1=CC=C(C=C1)CC(C)(C(=O)O)OC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C31H38N2O6/c1-4-20-33(30(36)32-25-14-18-26(19-15-25)37-5-2)21-9-22-38-27-16-12-24(13-17-27)23-31(3,29(34)35)39-28-10-7-6-8-11-28/h6-8,10-19H,4-5,9,20-23H2,1-3H3,(H,32,36)(H,34,35)