(E)-but-2-enedioic acid; N,N-dimethyl-3-spiro[3H-1-benzofuran-2,1'-cycloheptane]-3-yloxy-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-spiro[3H-1-benzofuran-2,1'-cycloheptane]-3-yloxy-propan-1-amine Openeye Name: N,N-dimethyl-3-spiro[3H-benzofuran-2,1'-cycloheptane]-3-yloxy-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-(3-spiro[3H-benzofuran-2,1'-cycloheptane]yloxy)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-spiro[3H-1-benzofuran-2,1'-cycloheptane]-3-yloxypropan-1-amine Traditional Name: dimethyl(3-spiro[coumaran-2,1'-cycloheptane]-3-yloxypropyl)amine; fumaric acid Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1C2=CC=CC=C2OC13CCCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCOC1C2=CC=CC=C2OC13CCCCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H29NO2.C4H4O4/c1-20(2)14-9-15-21-18-16-10-5-6-11-17(16)22-19(18)12-7-3-4-8-13-19;5-3(6)1-2-4(7)8/h5-6,10-11,18H,3-4,7-9,12-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+