3-(4-azanylbutyl)-7-methyl-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-indolecarboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=C(C(=C3NC4=CC=CC=C4N3C)N=C12)CCCCN)C(=O)O

Isomeric SMILES

CC1=CC=C(C2=C(C(=C3NC4=CC=CC=C4N3C)N=C12)CCCCN)C(=O)O

InChI

InChI=1S/C22H24N4O2/c1-13-10-11-15(22(27)28)18-14(7-5-6-12-23)20(25-19(13)18)21-24-16-8-3-4-9-17(16)26(21)2/h3-4,8-11,24H,5-7,12,23H2,1-2H3,(H,27,28)