2-butoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid

Systemtic Name: 2-butoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 2-butoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid CAS Name: 2-butoxy-3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: 2-butoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 2-butoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C28H40N2O4 MolecularWeight: 468.6282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OCCCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OCCCC

InChI

InChI=1S/C28H40N2O4/c1-4-6-8-9-10-18-29-28(33)30(3)25-13-11-12-24(21-25)23-16-14-22(15-17-23)20-26(27(31)32)34-19-7-5-2/h11-17,21,26H,4-10,18-20H2,1-3H3,(H,29,33)(H,31,32)