2-[10-[2-(dimethylamino)propyl]-7-fluoranyl-phenothiazin-2-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[10-[2-(dimethylamino)propyl]-7-fluoranyl-phenothiazin-2-yl]-2-methyl-propanoic acid Openeye Name: 2-[10-[2-(dimethylamino)propyl]-7-fluoro-phenothiazin-2-yl]-2-methyl-propanoic acid CAS Name: 2-[10-[2-(dimethylamino)propyl]-7-fluoro-2-phenothiazinyl]-2-methylpropanoic acid IUPAC Name: 2-[10-[2-(dimethylamino)propyl]-7-fluorophenothiazin-2-yl]-2-methylpropanoic acid Traditional Name: 2-[10-[2-(dimethylamino)propyl]-7-fluoro-phenothiazin-2-yl]-2-methyl-propionic acid Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=C(C=C2)F)SC3=C1C=C(C=C3)C(C)(C)C(=O)O)N(C)C

Isomeric SMILES

CC(CN1C2=C(C=C(C=C2)F)SC3=C1C=C(C=C3)C(C)(C)C(=O)O)N(C)C

InChI

InChI=1S/C21H25FN2O2S/c1-13(23(4)5)12-24-16-8-7-15(22)11-19(16)27-18-9-6-14(10-17(18)24)21(2,3)20(25)26/h6-11,13H,12H2,1-5H3,(H,25,26)