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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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