5-azanyl-1-(4-fluorophenyl)-2,2-dimethyl-hept-6-yn-3-one; ethanedioic acid

Systemtic Name: 5-azanyl-1-(4-fluorophenyl)-2,2-dimethyl-hept-6-yn-3-one; ethanedioic acid Openeye Name: 5-amino-1-(4-fluorophenyl)-2,2-dimethyl-hept-6-yn-3-one; oxalic acid CAS Name: 5-amino-1-(4-fluorophenyl)-2,2-dimethyl-6-heptyn-3-one; oxalic acid IUPAC Name: 5-amino-1-(4-fluorophenyl)-2,2-dimethylhept-6-yn-3-one; oxalic acid Traditional Name: 5-amino-1-(4-fluorophenyl)-2,2-dimethyl-hept-6-yn-3-one; oxalic acid Formula: C17H20FNO5 MolecularWeight: 337.342803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)F)C(=O)CC(C#C)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)F)C(=O)CC(C#C)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18FNO.C2H2O4/c1-4-13(17)9-14(18)15(2,3)10-11-5-7-12(16)8-6-11;3-1(4)2(5)6/h1,5-8,13H,9-10,17H2,2-3H3;(H,3,4)(H,5,6)