ethyl 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylate CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1H-indole-2-carboxylate Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)NC(=C3)C(=O)OCC)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)NC(=C3)C(=O)OCC)CO)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-3-5-6-18-23-19(21)17(12-25)24(18)11-13-7-8-15-14(9-13)10-16(22-15)20(26)27-4-2/h7-10,22,25H,3-6,11-12H2,1-2H3