3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C20H20BrClN2O2 MolecularWeight: 435.742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrClN2O2/c1-11-5-7-14(20(25)26)17-13(4-2-3-9-23)19(24-18(11)17)15-10-12(21)6-8-16(15)22/h5-8,10,24H,2-4,9,23H2,1H3,(H,25,26)