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

Systemtic Name: 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid Openeye Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-(2-cyanophenyl)-2-indolecarboxylic acid IUPAC Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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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=C4C#N)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C4=CC=CC=C4C#N)CO)Cl

InChI

InChI=1S/C25H23ClN4O3/c1-2-3-8-23-28-24(26)22(15-31)29(23)14-16-9-10-20-18(11-16)12-21(25(32)33)30(20)19-7-5-4-6-17(19)13-27/h4-7,9-12,31H,2-3,8,14-15H2,1H3,(H,32,33)