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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-dibenzothiophen-2-yl-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-dibenzothiophen-2-yl-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(2-dibenzothiophenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-dibenzothiophen-2-yl-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-dibenzothiophen-2-yl-1H-indol-5-yl]acetic acid Formula: C26H24N2O2S MolecularWeight: 428.54596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(N4)C=CC(=C5)CC(=O)O)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(N4)C=CC(=C5)CC(=O)O)CCCCN

InChI

InChI=1S/C26H24N2O2S/c27-12-4-3-6-19-20-13-16(14-25(29)30)8-10-22(20)28-26(19)17-9-11-24-21(15-17)18-5-1-2-7-23(18)31-24/h1-2,5,7-11,13,15,28H,3-4,6,12,14,27H2,(H,29,30)