2-[3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(5-bromo-8-quinolinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(5-bromoquinolin-8-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-1H-indol-5-yl]acetic acid Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)Br

InChI

InChI=1S/C23H22BrN3O2/c24-19-8-7-17(22-16(19)5-3-11-26-22)23-15(4-1-2-10-25)18-12-14(13-21(28)29)6-9-20(18)27-23/h3,5-9,11-12,27H,1-2,4,10,13,25H2,(H,28,29)