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

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-bromophenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[9-[(3-bromophenyl)methyl]-5-carbamoyl-carbazol-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[9-[(3-bromophenyl)methyl]-5-carbamoyl-4-carbazolyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[9-[(3-bromophenyl)methyl]-5-carbamoylcarbazol-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[9-(3-bromobenzyl)-5-carbamoyl-carbazol-4-yl]oxy-3-methyl-butyric acid Formula: C25H23BrN2O4 MolecularWeight: 495.36512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O4/c1-14(2)23(25(30)31)32-20-11-5-10-19-22(20)21-17(24(27)29)8-4-9-18(21)28(19)13-15-6-3-7-16(26)12-15/h3-12,14,23H,13H2,1-2H3,(H2,27,29)(H,30,31)