2-[[3-fluoranyl-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]amino]benzoic acid

Systemtic Name: 2-[[3-fluoranyl-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]amino]benzoic acid Openeye Name: 2-[3-fluoro-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]anilino]benzoic acid CAS Name: 2-[3-fluoro-4-[3-[methyl-[oxo-(pentylamino)methyl]amino]phenyl]anilino]benzoic acid IUPAC Name: 2-[3-fluoro-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]anilino]benzoic acid Traditional Name: 2-[4-[3-[amylcarbamoyl(methyl)amino]phenyl]-3-fluoro-anilino]benzoic acid Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)NC3=CC=CC=C3C(=O)O)F

Isomeric SMILES

CCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)NC3=CC=CC=C3C(=O)O)F

InChI

InChI=1S/C26H28FN3O3/c1-3-4-7-15-28-26(33)30(2)20-10-8-9-18(16-20)21-14-13-19(17-23(21)27)29-24-12-6-5-11-22(24)25(31)32/h5-6,8-14,16-17,29H,3-4,7,15H2,1-2H3,(H,28,33)(H,31,32)