3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolinyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromoquinolin-8-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C4C(=C(C=C3)Br)C=CC=N4)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C4C(=C(C=C3)Br)C=CC=N4)CCCCN

InChI

InChI=1S/C23H22BrN3O2/c1-13-7-8-16(23(28)29)19-15(5-2-3-11-25)22(27-20(13)19)17-9-10-18(24)14-6-4-12-26-21(14)17/h4,6-10,12,27H,2-3,5,11,25H2,1H3,(H,28,29)