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

Systemtic Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-propoxy-phenyl]propanoic acid Openeye Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-propoxy-phenyl]propanoic acid CAS Name: 3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-3-propoxyphenyl]propanoic acid IUPAC Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-propoxyphenyl]propanoic acid Traditional Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-propoxy-phenyl]propionic acid Formula: C27H38N2O4 MolecularWeight: 454.60162

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O4/c1-4-6-7-8-9-17-28-27(32)29(3)23-12-10-11-22(20-23)24-15-13-21(14-16-26(30)31)19-25(24)33-18-5-2/h10-13,15,19-20H,4-9,14,16-18H2,1-3H3,(H,28,32)(H,30,31)