(E)-but-2-enedioic acid; 2-[2-(tert-butylamino)ethylamino]-N,N-diethyl-2-phenyl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(tert-butylamino)ethylamino]-N,N-diethyl-2-phenyl-ethanamide Openeye Name: 2-[2-(tert-butylamino)ethylamino]-N,N-diethyl-2-phenyl-acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-(tert-butylamino)ethylamino]-N,N-diethyl-2-phenylacetamide IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(tert-butylamino)ethylamino]-N,N-diethyl-2-phenylacetamide Traditional Name: 2-[2-(tert-butylamino)ethylamino]-N,N-diethyl-2-phenyl-acetamide; fumaric acid Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)NCCNC(C)(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C(C1=CC=CC=C1)NCCNC(C)(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H31N3O.C4H4O4/c1-6-21(7-2)17(22)16(15-11-9-8-10-12-15)19-13-14-20-18(3,4)5;5-3(6)1-2-4(7)8/h8-12,16,19-20H,6-7,13-14H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+