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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=C(C4=CC=CC=C43)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=C(C4=CC=CC=C43)C(=O)O)CO)Cl

InChI

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