3-(4-azanylbutyl)-2-[3-(dimethylamino)phenyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-[3-(dimethylamino)phenyl]-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indole-5-carboxylic acid Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C21H25N3O2/c1-24(2)16-7-5-6-14(12-16)20-17(8-3-4-11-22)18-13-15(21(25)26)9-10-19(18)23-20/h5-7,9-10,12-13,23H,3-4,8,11,22H2,1-2H3,(H,25,26)