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

Systemtic Name: 3-[3-azanyl-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-amino-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[3-amino-4-[3-[methyl-[oxo-(pentylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-amino-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-amino-4-[3-[amylcarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-3-4-5-13-24-22(28)25(2)18-8-6-7-17(15-18)19-11-9-16(14-20(19)23)10-12-21(26)27/h6-9,11,14-15H,3-5,10,12-13,23H2,1-2H3,(H,24,28)(H,26,27)