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

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanyl-2-methoxy-phenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indole-5-carboxylic acid Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C20H21BrN2O3/c1-26-18-8-6-13(21)11-16(18)19-14(4-2-3-9-22)15-10-12(20(24)25)5-7-17(15)23-19/h5-8,10-11,23H,2-4,9,22H2,1H3,(H,24,25)