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

Systemtic Name: 3-[3-butoxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[3-[methyl-[oxo-(pentylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[amylcarbamoyl(methyl)amino]phenyl]-3-butoxy-phenyl]propionic acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-4-6-8-16-27-26(31)28(3)22-11-9-10-21(19-22)23-14-12-20(13-15-25(29)30)18-24(23)32-17-7-5-2/h9-12,14,18-19H,4-8,13,15-17H2,1-3H3,(H,27,31)(H,29,30)