N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; (E)-but-2-enedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; (E)-but-2-enedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; fumaric acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-propanamine; (E)-2-butenedioic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; (E)-but-2-enedioic acid Traditional Name: fumaric acid; isopropyl(piperonyl)amine Formula: C26H34N2O8 MolecularWeight: 502.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C11H15NO2.C4H4O4/c2*1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;5-3(6)1-2-4(7)8/h2*3-5,8,12H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+