4-[[(5Z)-2-butyl-4-chloranyl-5-(2-oxidanylidene-1H-indol-3-ylidene)-4H-imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[(5Z)-2-butyl-4-chloranyl-5-(2-oxidanylidene-1H-indol-3-ylidene)-4H-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[(5Z)-2-butyl-4-chloro-5-(2-oxoindolin-3-ylidene)-4H-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[(5Z)-2-butyl-4-chloro-5-(2-oxo-1H-indol-3-ylidene)-4H-imidazol-1-yl]methyl]benzoic acid IUPAC Name: 4-[[(5Z)-2-butyl-4-chloro-5-(2-oxo-1H-indol-3-ylidene)-4H-imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[(5Z)-2-butyl-4-chloro-5-(2-ketoindolin-3-ylidene)-2-imidazolin-1-yl]methyl]benzoic acid Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=C2C3=CC=CC=C3NC2=O)N1CC4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(/C(=C/2\C3=CC=CC=C3NC2=O)/N1CC4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C23H22ClN3O3/c1-2-3-8-18-26-21(24)20(19-16-6-4-5-7-17(16)25-22(19)28)27(18)13-14-9-11-15(12-10-14)23(29)30/h4-7,9-12,21H,2-3,8,13H2,1H3,(H,25,28)(H,29,30)/b20-19-