5-azanyl-2,2-dimethyl-1-phenyl-heptan-3-one; ethanedioic acid

Systemtic Name: 5-azanyl-2,2-dimethyl-1-phenyl-heptan-3-one; ethanedioic acid Openeye Name: 5-amino-2,2-dimethyl-1-phenyl-heptan-3-one; oxalic acid CAS Name: 5-amino-2,2-dimethyl-1-phenyl-3-heptanone; oxalic acid IUPAC Name: 5-amino-2,2-dimethyl-1-phenylheptan-3-one; oxalic acid Traditional Name: 5-amino-2,2-dimethyl-1-phenyl-heptan-3-one; oxalic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO.C2H2O4/c1-4-13(16)10-14(17)15(2,3)11-12-8-6-5-7-9-12;3-1(4)2(5)6/h5-9,13H,4,10-11,16H2,1-3H3;(H,3,4)(H,5,6)