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

Systemtic Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid Openeye Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid CAS Name: 5-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-(2-ethoxycarbonylphenyl)-2-indolecarboxylic acid IUPAC Name: 5-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid Traditional Name: 5-[(2-butyl-5-methylol-imidazol-1-yl)methyl]-1-(2-carbethoxyphenyl)indole-2-carboxylic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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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)OCC)CO

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5/c1-3-5-10-25-28-15-20(17-31)29(25)16-18-11-12-22-19(13-18)14-24(26(32)33)30(22)23-9-7-6-8-21(23)27(34)35-4-2/h6-9,11-15,31H,3-5,10,16-17H2,1-2H3,(H,32,33)