3-(4-azanylbutyl)-7-chloranyl-2-[4-(diethylamino)phenyl]-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-[4-(diethylamino)phenyl]-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-[4-(diethylamino)phenyl]-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-[4-(diethylamino)phenyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-[4-(diethylamino)phenyl]-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-[4-(diethylamino)phenyl]-1H-indole-4-carboxylic acid Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C23H28ClN3O2/c1-3-27(4-2)16-10-8-15(9-11-16)21-17(7-5-6-14-25)20-18(23(28)29)12-13-19(24)22(20)26-21/h8-13,26H,3-7,14,25H2,1-2H3,(H,28,29)