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

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanyl-2-methoxy-phenyl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-7-chloro-1H-indole-4-carboxylic acid Formula: C20H20BrClN2O3 MolecularWeight: 451.7414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C20H20BrClN2O3/c1-27-16-8-5-11(21)10-14(16)18-12(4-2-3-9-23)17-13(20(25)26)6-7-15(22)19(17)24-18/h5-8,10,24H,2-4,9,23H2,1H3,(H,25,26)