5-azanyl-2,2,7-trimethyl-1-phenyl-octan-3-one; ethanedioic acid

Systemtic Name: 5-azanyl-2,2,7-trimethyl-1-phenyl-octan-3-one; ethanedioic acid Openeye Name: 5-amino-2,2,7-trimethyl-1-phenyl-octan-3-one; oxalic acid CAS Name: 5-amino-2,2,7-trimethyl-1-phenyl-3-octanone; oxalic acid IUPAC Name: 5-amino-2,2,7-trimethyl-1-phenyloctan-3-one; oxalic acid Traditional Name: 5-amino-2,2,7-trimethyl-1-phenyl-octan-3-one; oxalic acid Formula: C19H29NO5 MolecularWeight: 351.43726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO.C2H2O4/c1-13(2)10-15(18)11-16(19)17(3,4)12-14-8-6-5-7-9-14;3-1(4)2(5)6/h5-9,13,15H,10-12,18H2,1-4H3;(H,3,4)(H,5,6)