[4-(2-azanyl-3-cyano-1-methyl-indol-5-yl)oxy-2,6-dimethoxy-phenyl] dihydrogen phosphate

Systemtic Name: [4-(2-azanyl-3-cyano-1-methyl-indol-5-yl)oxy-2,6-dimethoxy-phenyl] dihydrogen phosphate Openeye Name: [4-(2-amino-3-cyano-1-methyl-indol-5-yl)oxy-2,6-dimethoxy-phenyl] dihydrogen phosphate CAS Name: [4-[(2-amino-3-cyano-1-methyl-5-indolyl)oxy]-2,6-dimethoxyphenyl] dihydrogen phosphate IUPAC Name: [4-(2-amino-3-cyano-1-methylindol-5-yl)oxy-2,6-dimethoxyphenyl] dihydrogen phosphate Traditional Name: [4-(2-amino-3-cyano-1-methyl-indol-5-yl)oxy-2,6-dimethoxy-phenyl] dihydrogen phosphate Formula: C18H18N3O7P MolecularWeight: 419.325181

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC3=CC(=C(C(=C3)OC)OP(=O)(O)O)OC)C(=C1N)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC3=CC(=C(C(=C3)OC)OP(=O)(O)O)OC)C(=C1N)C#N

InChI

InChI=1S/C18H18N3O7P/c1-21-14-5-4-10(6-12(14)13(9-19)18(21)20)27-11-7-15(25-2)17(16(8-11)26-3)28-29(22,23)24/h4-8H,20H2,1-3H3,(H2,22,23,24)