3-bromanyl-1-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]indole-7-carboxylic acid

Systemtic Name: 3-bromanyl-1-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]indole-7-carboxylic acid Openeye Name: 3-bromo-1-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]indole-7-carboxylic acid CAS Name: 3-bromo-1-[4-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-7-indolecarboxylic acid IUPAC Name: 3-bromo-1-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]indole-7-carboxylic acid Traditional Name: 3-bromo-1-[4-[(2-butyl-5-methylol-imidazol-1-yl)methyl]phenyl]indole-7-carboxylic acid Formula: C24H24BrN3O3 MolecularWeight: 482.36966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)N3C=C(C4=C3C(=CC=C4)C(=O)O)Br)CO

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)N3C=C(C4=C3C(=CC=C4)C(=O)O)Br)CO

InChI

InChI=1S/C24H24BrN3O3/c1-2-3-7-22-26-12-18(15-29)27(22)13-16-8-10-17(11-9-16)28-14-21(25)19-5-4-6-20(23(19)28)24(30)31/h4-6,8-12,14,29H,2-3,7,13,15H2,1H3,(H,30,31)