5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylic acid Openeye Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylic acid CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylic acid Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-1H-indole-2-carboxylic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)NC(=C3)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)NC(=C3)C(=O)O)CO)Cl

InChI

InChI=1S/C18H20ClN3O3/c1-2-3-4-16-21-17(19)15(10-23)22(16)9-11-5-6-13-12(7-11)8-14(20-13)18(24)25/h5-8,20,23H,2-4,9-10H2,1H3,(H,24,25)