3-(4-azanylbutyl)-2-(1-benzothiophen-3-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(1-benzothiophen-3-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(benzothiophen-3-yl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(1-benzothiophen-3-yl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(1-benzothiophen-3-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(benzothiophen-3-yl)-1H-indole-5-carboxylic acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

InChI

InChI=1S/C21H20N2O2S/c22-10-4-3-6-15-16-11-13(21(24)25)8-9-18(16)23-20(15)17-12-26-19-7-2-1-5-14(17)19/h1-2,5,7-9,11-12,23H,3-4,6,10,22H2,(H,24,25)