5-azanyl-2,2,7-trimethyl-1-(4-methylphenyl)octan-3-one; ethanedioic acid

Systemtic Name: 5-azanyl-2,2,7-trimethyl-1-(4-methylphenyl)octan-3-one; ethanedioic acid Openeye Name: 5-amino-2,2,7-trimethyl-1-(p-tolyl)octan-3-one; oxalic acid CAS Name: 5-amino-2,2,7-trimethyl-1-(4-methylphenyl)-3-octanone; oxalic acid IUPAC Name: 5-amino-2,2,7-trimethyl-1-(4-methylphenyl)octan-3-one; oxalic acid Traditional Name: 5-amino-2,2,7-trimethyl-1-(p-tolyl)octan-3-one; oxalic acid Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO.C2H2O4/c1-13(2)10-16(19)11-17(20)18(4,5)12-15-8-6-14(3)7-9-15;3-1(4)2(5)6/h6-9,13,16H,10-12,19H2,1-5H3;(H,3,4)(H,5,6)