3-[4-[(2-methylpropan-2-yl)oxycarbonyl-octadecyl-amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl-octadecyl-amino]phenyl]propanoic acid Openeye Name: 3-[4-[tert-butoxycarbonyl(octadecyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-octadecylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl-octadecylamino]phenyl]propanoic acid Traditional Name: 3-[4-[tert-butoxycarbonyl(stearyl)amino]phenyl]propionic acid Formula: C32H55NO4 MolecularWeight: 517.7834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)CCC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)CCC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-33(31(36)37-32(2,3)4)29-24-21-28(22-25-29)23-26-30(34)35/h21-22,24-25H,5-20,23,26-27H2,1-4H3,(H,34,35)