[4,6-dimethyl-5-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]-1H-indol-2-yl]phosphonic acid

Systemtic Name: [4,6-dimethyl-5-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]-1H-indol-2-yl]phosphonic acid Openeye Name: [5-[(4-hydroxy-3-isopropyl-phenyl)methyl]-4,6-dimethyl-1H-indol-2-yl]phosphonic acid CAS Name: [5-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-4,6-dimethyl-1H-indol-2-yl]phosphonic acid IUPAC Name: [5-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-4,6-dimethyl-1H-indol-2-yl]phosphonic acid Traditional Name: [5-(4-hydroxy-3-isopropyl-benzyl)-4,6-dimethyl-1H-indol-2-yl]phosphonic acid Formula: C20H24NO4P MolecularWeight: 373.382621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2)P(=O)(O)O)C(=C1CC3=CC(=C(C=C3)O)C(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C(N2)P(=O)(O)O)C(=C1CC3=CC(=C(C=C3)O)C(C)C)C

InChI

InChI=1S/C20H24NO4P/c1-11(2)15-8-14(5-6-19(15)22)9-16-12(3)7-18-17(13(16)4)10-20(21-18)26(23,24)25/h5-8,10-11,21-22H,9H2,1-4H3,(H2,23,24,25)