(E)-but-2-enedioic acid; 3-(2,4-dimethoxyphenyl)-N,N-di(propan-2-yl)-3-thiophen-2-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(2,4-dimethoxyphenyl)-N,N-di(propan-2-yl)-3-thiophen-2-yl-propan-1-amine Openeye Name: 3-(2,4-dimethoxyphenyl)-N,N-diisopropyl-3-(2-thienyl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2,4-dimethoxyphenyl)-N,N-di(propan-2-yl)-3-thiophen-2-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2,4-dimethoxyphenyl)-N,N-di(propan-2-yl)-3-thiophen-2-ylpropan-1-amine Traditional Name: [3-(2,4-dimethoxyphenyl)-3-(2-thienyl)propyl]-diisopropyl-amine; fumaric acid Formula: C25H35NO6S MolecularWeight: 477.6135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(C1=C(C=C(C=C1)OC)OC)C2=CC=CS2)C(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CCC(C1=C(C=C(C=C1)OC)OC)C2=CC=CS2)C(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H31NO2S.C4H4O4/c1-15(2)22(16(3)4)12-11-19(21-8-7-13-25-21)18-10-9-17(23-5)14-20(18)24-6;5-3(6)1-2-4(7)8/h7-10,13-16,19H,11-12H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+