3-[4-[2-[cyclohexylcarbamoyl(octyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[cyclohexylcarbamoyl(octyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[cyclohexylcarbamoyl(octyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[[(cyclohexylamino)-oxomethyl]-octylamino]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[cyclohexylcarbamoyl(octyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[cyclohexylcarbamoyl(octyl)amino]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C28H46N2O5 MolecularWeight: 490.67524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NC2CCCCC2

Isomeric SMILES

CCCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NC2CCCCC2

InChI

InChI=1S/C28H46N2O5/c1-3-5-6-7-8-12-19-30(28(33)29-24-13-10-9-11-14-24)20-21-35-25-17-15-23(16-18-25)22-26(27(31)32)34-4-2/h15-18,24,26H,3-14,19-22H2,1-2H3,(H,29,33)(H,31,32)