5-azanyl-1-(4-bromophenyl)-2,2-dimethyl-hexan-3-one; ethanedioic acid

Systemtic Name: 5-azanyl-1-(4-bromophenyl)-2,2-dimethyl-hexan-3-one; ethanedioic acid Openeye Name: 5-amino-1-(4-bromophenyl)-2,2-dimethyl-hexan-3-one; oxalic acid CAS Name: 5-amino-1-(4-bromophenyl)-2,2-dimethyl-3-hexanone; oxalic acid IUPAC Name: 5-amino-1-(4-bromophenyl)-2,2-dimethylhexan-3-one; oxalic acid Traditional Name: 5-amino-1-(4-bromophenyl)-2,2-dimethyl-hexan-3-one; oxalic acid Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(C)(C)CC1=CC=C(C=C1)Br)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC(=O)C(C)(C)CC1=CC=C(C=C1)Br)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20BrNO.C2H2O4/c1-10(16)8-13(17)14(2,3)9-11-4-6-12(15)7-5-11;3-1(4)2(5)6/h4-7,10H,8-9,16H2,1-3H3;(H,3,4)(H,5,6)