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

Systemtic Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-carboxyphenyl)indole-2-carboxylic acid Openeye Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-carboxyphenyl)indole-2-carboxylic acid CAS Name: 5-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-(2-carboxyphenyl)-2-indolecarboxylic acid IUPAC Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-carboxyphenyl)indole-2-carboxylic acid Traditional Name: 5-[(2-butyl-5-methylol-imidazol-1-yl)methyl]-1-(2-carboxyphenyl)indole-2-carboxylic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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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(=O)O)CO

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5/c1-2-3-8-23-26-13-18(15-29)27(23)14-16-9-10-20-17(11-16)12-22(25(32)33)28(20)21-7-5-4-6-19(21)24(30)31/h4-7,9-13,29H,2-3,8,14-15H2,1H3,(H,30,31)(H,32,33)