2-[3-(4-azanylbutyl)-2-(1-benzothiophen-3-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(1-benzothiophen-3-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(benzothiophen-3-yl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(1-benzothiophen-3-yl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(1-benzothiophen-3-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(benzothiophen-3-yl)-1H-indol-5-yl]acetic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S/c23-10-4-3-6-16-17-11-14(12-21(25)26)8-9-19(17)24-22(16)18-13-27-20-7-2-1-5-15(18)20/h1-2,5,7-9,11,13,24H,3-4,6,10,12,23H2,(H,25,26)