2-butyl-4-chloranyl-5-(hydroxymethyl)-7-imidazol-1-yl-6-methyl-1-phenyl-indole-3-carboxylic acid

Systemtic Name: 2-butyl-4-chloranyl-5-(hydroxymethyl)-7-imidazol-1-yl-6-methyl-1-phenyl-indole-3-carboxylic acid Openeye Name: 2-butyl-4-chloro-5-(hydroxymethyl)-7-imidazol-1-yl-6-methyl-1-phenyl-indole-3-carboxylic acid CAS Name: 2-butyl-4-chloro-5-(hydroxymethyl)-7-(1-imidazolyl)-6-methyl-1-phenyl-3-indolecarboxylic acid IUPAC Name: 2-butyl-4-chloro-5-(hydroxymethyl)-7-imidazol-1-yl-6-methyl-1-phenylindole-3-carboxylic acid Traditional Name: 2-butyl-4-chloro-7-imidazol-1-yl-6-methyl-5-methylol-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(=C(C(=C2Cl)CO)C)N4C=CN=C4)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=C(N1C3=CC=CC=C3)C(=C(C(=C2Cl)CO)C)N4C=CN=C4)C(=O)O

InChI

InChI=1S/C24H24ClN3O3/c1-3-4-10-18-19(24(30)31)20-21(25)17(13-29)15(2)22(27-12-11-26-14-27)23(20)28(18)16-8-6-5-7-9-16/h5-9,11-12,14,29H,3-4,10,13H2,1-2H3,(H,30,31)