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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(2-methylquinolin-5-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2-methyl-5-quinolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2-methyl-5-quinolinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2-methylquinolin-5-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(2-methyl-5-quinolyl)-1H-indole-4-carboxylic acid Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC(=C2C=C1)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

CC1=NC2=CC=CC(=C2C=C1)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C23H22ClN3O2/c1-13-8-9-14-15(6-4-7-19(14)26-13)21-16(5-2-3-12-25)20-17(23(28)29)10-11-18(24)22(20)27-21/h4,6-11,27H,2-3,5,12,25H2,1H3,(H,28,29)