2-[5-aminocarbonyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[9-[(4-bromo-2-fluoro-phenyl)methyl]-5-carbamoyl-carbazol-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[9-[(4-bromo-2-fluorophenyl)methyl]-5-carbamoyl-4-carbazolyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[9-[(4-bromo-2-fluorophenyl)methyl]-5-carbamoylcarbazol-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[9-(4-bromo-2-fluoro-benzyl)-5-carbamoyl-carbazol-4-yl]oxy-3-methyl-butyric acid Formula: C25H22BrFN2O4 MolecularWeight: 513.355583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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