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

Systemtic Name: 2-butyl-4-chloranyl-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenyl-indole-3-carboxylic acid Openeye Name: 2-butyl-4-chloro-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenyl-indole-3-carboxylic acid CAS Name: 2-butyl-4-chloro-5-[[2-(hydroxymethyl)-1-imidazolyl]methyl]-1-phenyl-3-indolecarboxylic acid IUPAC Name: 2-butyl-4-chloro-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenylindole-3-carboxylic acid Traditional Name: 2-butyl-4-chloro-5-[(2-methylolimidazol-1-yl)methyl]-1-phenyl-indole-3-carboxylic acid Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2Cl)CN4C=CN=C4CO)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2Cl)CN4C=CN=C4CO)C(=O)O

InChI

InChI=1S/C24H24ClN3O3/c1-2-3-9-18-22(24(30)31)21-19(28(18)17-7-5-4-6-8-17)11-10-16(23(21)25)14-27-13-12-26-20(27)15-29/h4-8,10-13,29H,2-3,9,14-15H2,1H3,(H,30,31)