3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-phenyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-phenyl]phenyl]propanoic acid CAS Name: 3-[4-[5-[[(heptylamino)-oxomethyl]-methylamino]-2-methylphenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methylphenyl]phenyl]propanoic acid Traditional Name: 3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-phenyl]phenyl]propionic acid Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3/c1-4-5-6-7-8-17-26-25(30)27(3)22-15-9-19(2)23(18-22)21-13-10-20(11-14-21)12-16-24(28)29/h9-11,13-15,18H,4-8,12,16-17H2,1-3H3,(H,26,30)(H,28,29)