5-(dimethylamino)-1-(4-fluorophenyl)-2,2-dimethyl-heptan-3-one; ethanedioic acid

Systemtic Name: 5-(dimethylamino)-1-(4-fluorophenyl)-2,2-dimethyl-heptan-3-one; ethanedioic acid Openeye Name: 5-(dimethylamino)-1-(4-fluorophenyl)-2,2-dimethyl-heptan-3-one; oxalic acid CAS Name: 5-(dimethylamino)-1-(4-fluorophenyl)-2,2-dimethyl-3-heptanone; oxalic acid IUPAC Name: 5-(dimethylamino)-1-(4-fluorophenyl)-2,2-dimethylheptan-3-one; oxalic acid Traditional Name: 5-(dimethylamino)-1-(4-fluorophenyl)-2,2-dimethyl-heptan-3-one; oxalic acid Formula: C19H28FNO5 MolecularWeight: 369.427723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26FNO.C2H2O4/c1-6-15(19(4)5)11-16(20)17(2,3)12-13-7-9-14(18)10-8-13;3-1(4)2(5)6/h7-10,15H,6,11-12H2,1-5H3;(H,3,4)(H,5,6)