2-ethoxy-3-[4-[2-(3-methoxyphenyl)-1-(3-propylsulfanylpropylcarbamoylamino)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-1-(3-propylsulfanylpropylcarbamoylamino)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-1-(3-propylsulfanylpropylcarbamoylamino)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-1-[[oxo-[3-(propylthio)propylamino]methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-1-(3-propylsulfanylpropylcarbamoylamino)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-1-[3-(propylthio)propylcarbamoylamino]ethoxy]phenyl]propionic acid Formula: C27H38N2O6S MolecularWeight: 518.66542

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)NC(CC1=CC(=CC=C1)OC)OC2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCSCCCNC(=O)NC(CC1=CC(=CC=C1)OC)OC2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C27H38N2O6S/c1-4-15-36-16-7-14-28-27(32)29-25(19-21-8-6-9-23(17-21)33-3)35-22-12-10-20(11-13-22)18-24(26(30)31)34-5-2/h6,8-13,17,24-25H,4-5,7,14-16,18-19H2,1-3H3,(H,30,31)(H2,28,29,32)