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

Systemtic Name: [4-[[1-ethyl-2-(4-hydroxyphenyl)-3-methyl-6-oxidanyl-indol-5-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methyl-indol-5-yl]amino]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methyl-5-indolyl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-5-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[1-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-3-methyl-indol-5-yl]amino]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C21H26N2O9P2 MolecularWeight: 512.386662

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H26N2O9P2/c1-3-23-17-11-18(25)16(22-19(26)8-9-20(33(27,28)29)34(30,31)32)10-15(17)12(2)21(23)13-4-6-14(24)7-5-13/h4-7,10-11,20,24-25H,3,8-9H2,1-2H3,(H,22,26)(H2,27,28,29)(H2,30,31,32)