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

Systemtic Name: 3-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-1-phenyl-indole-2-carboxylic acid Openeye Name: 3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-1-phenyl-indole-2-carboxylic acid CAS Name: 3-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-1-phenyl-2-indolecarboxylic acid IUPAC Name: 3-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]-1-phenylindole-2-carboxylic acid Traditional Name: 3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-1-phenyl-indole-2-carboxylic acid Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O3/c1-2-3-13-21-26-23(25)20(15-29)27(21)14-18-17-11-7-8-12-19(17)28(22(18)24(30)31)16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,30,31)