[5-[[1-ethyl-2-(4-hydroxyphenyl)-3-methyl-6-oxidanyl-indol-5-yl]amino]-1-oxidanyl-5-oxidanylidene-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-[[1-ethyl-2-(4-hydroxyphenyl)-3-methyl-6-oxidanyl-indol-5-yl]amino]-1-oxidanyl-5-oxidanylidene-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methyl-indol-5-yl]amino]-1-hydroxy-5-oxo-1-phosphono-pentyl]phosphonic acid CAS Name: [5-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methyl-5-indolyl]amino]-1-hydroxy-5-oxo-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-5-yl]amino]-1-hydroxy-5-oxo-1-phosphonopentyl]phosphonic acid Traditional Name: [5-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methyl-indol-5-yl]amino]-1-hydroxy-5-keto-1-phosphono-pentyl]phosphonic acid Formula: C22H28N2O10P2 MolecularWeight: 542.412642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=C1C3=CC=C(C=C3)O)C)NC(=O)CCCC(O)(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=C1C3=CC=C(C=C3)O)C)NC(=O)CCCC(O)(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C22H28N2O10P2/c1-3-24-18-12-19(26)17(11-16(18)13(2)21(24)14-6-8-15(25)9-7-14)23-20(27)5-4-10-22(28,35(29,30)31)36(32,33)34/h6-9,11-12,25-26,28H,3-5,10H2,1-2H3,(H,23,27)(H2,29,30,31)(H2,32,33,34)