2-butyl-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenyl-indole-7-carboxylic acid

Systemtic Name: 2-butyl-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenyl-indole-7-carboxylic acid Openeye Name: 2-butyl-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenyl-indole-7-carboxylic acid CAS Name: 2-butyl-5-[[2-(hydroxymethyl)-1-imidazolyl]methyl]-1-phenyl-7-indolecarboxylic acid IUPAC Name: 2-butyl-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-1-phenylindole-7-carboxylic acid Traditional Name: 2-butyl-5-[(2-methylolimidazol-1-yl)methyl]-1-phenyl-indole-7-carboxylic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=CC(=C2N1C3=CC=CC=C3)C(=O)O)CN4C=CN=C4CO

Isomeric SMILES

CCCCC1=CC2=CC(=CC(=C2N1C3=CC=CC=C3)C(=O)O)CN4C=CN=C4CO

InChI

InChI=1S/C24H25N3O3/c1-2-3-7-20-14-18-12-17(15-26-11-10-25-22(26)16-28)13-21(24(29)30)23(18)27(20)19-8-5-4-6-9-19/h4-6,8-14,28H,2-3,7,15-16H2,1H3,(H,29,30)