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

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanyl-2-methoxy-phenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3/c1-12-6-8-15(21(25)26)18-14(5-3-4-10-23)20(24-19(12)18)16-11-13(22)7-9-17(16)27-2/h6-9,11,24H,3-5,10,23H2,1-2H3,(H,25,26)