2-[5-aminocarbonyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]carbazol-4-yl]oxypentanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]carbazol-4-yl]oxypentanoic acid Openeye Name: 2-[9-[(4-bromo-2-fluoro-phenyl)methyl]-5-carbamoyl-carbazol-4-yl]oxypentanoic acid CAS Name: 2-[[9-[(4-bromo-2-fluorophenyl)methyl]-5-carbamoyl-4-carbazolyl]oxy]pentanoic acid IUPAC Name: 2-[9-[(4-bromo-2-fluorophenyl)methyl]-5-carbamoylcarbazol-4-yl]oxypentanoic acid Traditional Name: 2-[9-(4-bromo-2-fluoro-benzyl)-5-carbamoyl-carbazol-4-yl]oxyvaleric acid Formula: C25H22BrFN2O4 MolecularWeight: 513.355583

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=C(C=C(C=C4)Br)F)C(=O)N

Isomeric SMILES

CCCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=C(C=C(C=C4)Br)F)C(=O)N

InChI

InChI=1S/C25H22BrFN2O4/c1-2-5-21(25(31)32)33-20-9-4-8-19-23(20)22-16(24(28)30)6-3-7-18(22)29(19)13-14-10-11-15(26)12-17(14)27/h3-4,6-12,21H,2,5,13H2,1H3,(H2,28,30)(H,31,32)