(E)-but-2-enedioic acid; 3-[(2-ethoxyphenoxy)methyl]-3-methoxy-pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 3-[(2-ethoxyphenoxy)methyl]-3-methoxy-pyrrolidine Openeye Name: 3-[(2-ethoxyphenoxy)methyl]-3-methoxy-pyrrolidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[(2-ethoxyphenoxy)methyl]-3-methoxypyrrolidine IUPAC Name: (E)-but-2-enedioic acid; 3-[(2-ethoxyphenoxy)methyl]-3-methoxypyrrolidine Traditional Name: 3-[(2-ethoxyphenoxy)methyl]-3-methoxy-pyrrolidine; fumaric acid Formula: C18H25NO7 MolecularWeight: 367.3936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC2(CCNC2)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1OCC2(CCNC2)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21NO3.C4H4O4/c1-3-17-12-6-4-5-7-13(12)18-11-14(16-2)8-9-15-10-14;5-3(6)1-2-4(7)8/h4-7,15H,3,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+