3-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid

Systemtic Name: 3-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid Openeye Name: 3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid CAS Name: 3-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-1-(2-cyanophenyl)-2-indolecarboxylic acid IUPAC Name: 3-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid Traditional Name: 3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-1-(2-cyanophenyl)indole-2-carboxylic acid Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C(N(C3=CC=CC=C32)C4=CC=CC=C4C#N)C(=O)O)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C(N(C3=CC=CC=C32)C4=CC=CC=C4C#N)C(=O)O)C=O)Cl

InChI

InChI=1S/C25H21ClN4O3/c1-2-3-12-22-28-24(26)21(15-31)29(22)14-18-17-9-5-7-11-20(17)30(23(18)25(32)33)19-10-6-4-8-16(19)13-27/h4-11,15H,2-3,12,14H2,1H3,(H,32,33)