3-[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]-2-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]-2-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[2-hydroxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[2-hydroxy-4-[3-[methyl-[oxo-(pentylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[2-hydroxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[amylcarbamoyl(methyl)amino]phenyl]-2-hydroxy-phenyl]propionic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-3-4-5-13-23-22(28)24(2)19-8-6-7-17(14-19)18-10-9-16(20(25)15-18)11-12-21(26)27/h6-10,14-15,25H,3-5,11-13H2,1-2H3,(H,23,28)(H,26,27)