7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-1-benzofuran-4-carboxylic acid

Systemtic Name: 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-1-benzofuran-4-carboxylic acid Openeye Name: 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzofuran-4-carboxylic acid CAS Name: 7-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-4-benzofurancarboxylic acid IUPAC Name: 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-1-benzofuran-4-carboxylic acid Traditional Name: 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzofuran-4-carboxylic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C4C(=C(C=C3)C(=O)O)C=CO4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C4C(=C(C=C3)C(=O)O)C=CO4

InChI

InChI=1S/C26H28N2O4/c1-3-5-6-17(4-2)25(29)27-20-9-7-18-11-13-28(23(18)15-20)16-19-8-10-22(26(30)31)21-12-14-32-24(19)21/h7-15,17H,3-6,16H2,1-2H3,(H,27,29)(H,30,31)