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

Systemtic Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-phenoxy-propanoic acid Openeye Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-phenoxy-propanoic acid CAS Name: 3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]-2-phenoxypropanoic acid IUPAC Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-phenoxypropanoic acid Traditional Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-phenoxy-propionic acid Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O4/c1-3-4-5-6-10-20-31-30(35)32(2)26-13-11-12-25(22-26)24-18-16-23(17-19-24)21-28(29(33)34)36-27-14-8-7-9-15-27/h7-9,11-19,22,28H,3-6,10,20-21H2,1-2H3,(H,31,35)(H,33,34)