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

Systemtic Name: 4-[2-butyl-5-(hydroxymethyl)imidazol-1-yl]-1-(2-ethoxycarbonylphenyl)-3-methyl-indole-2-carboxylic acid Openeye Name: 4-[2-butyl-5-(hydroxymethyl)imidazol-1-yl]-1-(2-ethoxycarbonylphenyl)-3-methyl-indole-2-carboxylic acid CAS Name: 4-[2-butyl-5-(hydroxymethyl)-1-imidazolyl]-1-(2-ethoxycarbonylphenyl)-3-methyl-2-indolecarboxylic acid IUPAC Name: 4-[2-butyl-5-(hydroxymethyl)imidazol-1-yl]-1-(2-ethoxycarbonylphenyl)-3-methylindole-2-carboxylic acid Traditional Name: 4-(2-butyl-5-methylol-imidazol-1-yl)-1-(2-carbethoxyphenyl)-3-methyl-indole-2-carboxylic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5/c1-4-6-14-23-28-15-18(16-31)29(23)21-12-9-13-22-24(21)17(3)25(26(32)33)30(22)20-11-8-7-10-19(20)27(34)35-5-2/h7-13,15,31H,4-6,14,16H2,1-3H3,(H,32,33)