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

Systemtic Name: 3-[3-[heptyl(2-methylpropoxycarbonyl)amino]propoxy]-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[heptyl(isobutoxycarbonyl)amino]propoxy]-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-[3-[heptyl-[2-methylpropoxy(oxo)methyl]amino]propoxy]-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[heptyl(2-methylpropoxycarbonyl)amino]propoxy]-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[heptyl(isobutoxycarbonyl)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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO6/c1-6-7-8-9-13-17-28(26(31)33-20-22(2)3)18-14-19-32-21-27(25(29)30,34-23(4)5)24-15-11-10-12-16-24/h10-12,15-16,22-23H,6-9,13-14,17-21H2,1-5H3,(H,29,30)