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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(8-ethoxyquinolin-5-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxy-5-quinolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxy-5-quinolinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxyquinolin-5-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxy-5-quinolyl)-1H-indole-4-carboxylic acid Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN)C=CC=N2

InChI

InChI=1S/C24H24ClN3O3/c1-2-31-19-11-9-15(14-7-5-13-27-22(14)19)21-16(6-3-4-12-26)20-17(24(29)30)8-10-18(25)23(20)28-21/h5,7-11,13,28H,2-4,6,12,26H2,1H3,(H,29,30)