3-[3-[butan-2-yloxycarbonyl(heptyl)amino]propoxy]-2-phenyl-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-[butan-2-yloxycarbonyl(heptyl)amino]propoxy]-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[heptyl(sec-butoxycarbonyl)amino]propoxy]-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-[3-[[butan-2-yloxy(oxo)methyl]-heptylamino]propoxy]-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[butan-2-yloxycarbonyl(heptyl)amino]propoxy]-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[heptyl(sec-butoxycarbonyl)amino]propoxy]-2-isopropoxy-2-phenyl-propionic acid Formula: C27H45NO6 MolecularWeight: 479.6493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCOCC(C1=CC=CC=C1)(C(=O)O)OC(C)C)C(=O)OC(C)CC

Isomeric SMILES

CCCCCCCN(CCCOCC(C1=CC=CC=C1)(C(=O)O)OC(C)C)C(=O)OC(C)CC

InChI

InChI=1S/C27H45NO6/c1-6-8-9-10-14-18-28(26(31)33-23(5)7-2)19-15-20-32-21-27(25(29)30,34-22(3)4)24-16-12-11-13-17-24/h11-13,16-17,22-23H,6-10,14-15,18-21H2,1-5H3,(H,29,30)