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

Systemtic Name: 4-[2-butyl-5-(hydroxymethyl)imidazol-1-yl]-1-(2-carboxyphenyl)-3-methyl-indole-2-carboxylic acid Openeye Name: 4-[2-butyl-5-(hydroxymethyl)imidazol-1-yl]-1-(2-carboxyphenyl)-3-methyl-indole-2-carboxylic acid CAS Name: 4-[2-butyl-5-(hydroxymethyl)-1-imidazolyl]-1-(2-carboxyphenyl)-3-methyl-2-indolecarboxylic acid IUPAC Name: 4-[2-butyl-5-(hydroxymethyl)imidazol-1-yl]-1-(2-carboxyphenyl)-3-methylindole-2-carboxylic acid Traditional Name: 4-(2-butyl-5-methylol-imidazol-1-yl)-1-(2-carboxyphenyl)-3-methyl-indole-2-carboxylic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C2=CC=CC3=C2C(=C(N3C4=CC=CC=C4C(=O)O)C(=O)O)C)CO

Isomeric SMILES

CCCCC1=NC=C(N1C2=CC=CC3=C2C(=C(N3C4=CC=CC=C4C(=O)O)C(=O)O)C)CO

InChI

InChI=1S/C25H25N3O5/c1-3-4-12-21-26-13-16(14-29)27(21)19-10-7-11-20-22(19)15(2)23(25(32)33)28(20)18-9-6-5-8-17(18)24(30)31/h5-11,13,29H,3-4,12,14H2,1-2H3,(H,30,31)(H,32,33)