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

Systemtic Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenyl-indole-2-carboxylic acid Openeye Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenyl-indole-2-carboxylic acid CAS Name: 5-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-phenyl-2-indolecarboxylic acid IUPAC Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenylindole-2-carboxylic acid Traditional Name: 5-[(2-butyl-5-methylol-imidazol-1-yl)methyl]-1-phenyl-indole-2-carboxylic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C4=CC=CC=C4)CO

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C4=CC=CC=C4)CO

InChI

InChI=1S/C24H25N3O3/c1-2-3-9-23-25-14-20(16-28)26(23)15-17-10-11-21-18(12-17)13-22(24(29)30)27(21)19-7-5-4-6-8-19/h4-8,10-14,28H,2-3,9,15-16H2,1H3,(H,29,30)