3-(4-azanylbutyl)-7-chloranyl-2-[3-(dimethylamino)phenyl]-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-[3-(dimethylamino)phenyl]-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-[3-(dimethylamino)phenyl]-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-[3-(dimethylamino)phenyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-[3-(dimethylamino)phenyl]-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-[3-(dimethylamino)phenyl]-1H-indole-4-carboxylic acid Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C21H24ClN3O2/c1-25(2)14-7-5-6-13(12-14)19-15(8-3-4-11-23)18-16(21(26)27)9-10-17(22)20(18)24-19/h5-7,9-10,12,24H,3-4,8,11,23H2,1-2H3,(H,26,27)