2-bromanyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 2-bromanyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 2-bromo-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 2-bromo-4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 2-bromo-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 2-bromo-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Formula: C24H27BrN2O3 MolecularWeight: 471.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC(=C(C=C3)C(=O)O)Br

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC(=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C24H27BrN2O3/c1-3-5-6-17(4-2)23(28)26-19-9-8-18-11-12-27(22(18)14-19)15-16-7-10-20(24(29)30)21(25)13-16/h7-14,17H,3-6,15H2,1-2H3,(H,26,28)(H,29,30)