1-cyclohexyl-7-(diethylamino)-1-phenyl-hept-5-yn-2-one; ethanedioic acid

Systemtic Name: 1-cyclohexyl-7-(diethylamino)-1-phenyl-hept-5-yn-2-one; ethanedioic acid Openeye Name: 1-cyclohexyl-7-(diethylamino)-1-phenyl-hept-5-yn-2-one; oxalic acid CAS Name: 1-cyclohexyl-7-(diethylamino)-1-phenyl-5-heptyn-2-one; oxalic acid IUPAC Name: 1-cyclohexyl-7-(diethylamino)-1-phenylhept-5-yn-2-one; oxalic acid Traditional Name: 1-cyclohexyl-7-(diethylamino)-1-phenyl-hept-5-yn-2-one; oxalic acid Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCC(=O)C(C1CCCCC1)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCCC(=O)C(C1CCCCC1)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H33NO.C2H2O4/c1-3-24(4-2)19-13-7-12-18-22(25)23(20-14-8-5-9-15-20)21-16-10-6-11-17-21;3-1(4)2(5)6/h5,8-9,14-15,21,23H,3-4,6,10-12,16-19H2,1-2H3;(H,3,4)(H,5,6)