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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-indolecarboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(3-methyl-1H-benzimidazol-2-ylidene)indole-4-carboxylic acid Formula: C21H21ClN4O2 MolecularWeight: 396.87004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C3C(=C4C(=CC=C(C4=N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C3C(=C4C(=CC=C(C4=N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C21H21ClN4O2/c1-26-16-8-3-2-7-15(16)24-20(26)18-12(6-4-5-11-23)17-13(21(27)28)9-10-14(22)19(17)25-18/h2-3,7-10,24H,4-6,11,23H2,1H3,(H,27,28)