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

Systemtic Name: 3-[3-[butoxycarbonyl(heptyl)amino]propoxy]-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[butoxycarbonyl(heptyl)amino]propoxy]-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-[3-[[butoxy(oxo)methyl]-heptylamino]propoxy]-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[butoxycarbonyl(heptyl)amino]propoxy]-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[butoxycarbonyl(heptyl)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)OCCCC

Isomeric SMILES

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

InChI

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