ethanedioic acid; 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-yl-ethanone

Systemtic Name: ethanedioic acid; 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-yl-ethanone Openeye Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholino-ethanone; oxalic acid CAS Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-morpholinyl)ethanone; oxalic acid IUPAC Name: 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone; oxalic acid Traditional Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholino-ethanone; oxalic acid Formula: C20H23FN2O6 MolecularWeight: 406.404823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CN3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CN3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21FN2O2.C2H2O4/c1-13-11-15(18(22)12-20-7-9-23-10-8-20)14(2)21(13)17-6-4-3-5-16(17)19;3-1(4)2(5)6/h3-6,11H,7-10,12H2,1-2H3;(H,3,4)(H,5,6)