(E)-but-2-enedioic acid; 7-(morpholin-2-ylmethoxy)-4-propyl-chromen-2-one

Systemtic Name: (E)-but-2-enedioic acid; 7-(morpholin-2-ylmethoxy)-4-propyl-chromen-2-one Openeye Name: fumaric acid; 7-(morpholin-2-ylmethoxy)-4-propyl-chromen-2-one CAS Name: (E)-2-butenedioic acid; 7-(2-morpholinylmethoxy)-4-propyl-1-benzopyran-2-one IUPAC Name: (E)-but-2-enedioic acid; 7-(morpholin-2-ylmethoxy)-4-propylchromen-2-one Traditional Name: fumaric acid; 7-(morpholin-2-ylmethoxy)-4-propyl-coumarin Formula: C21H25NO8 MolecularWeight: 419.4251

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3CNCCO3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3CNCCO3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H21NO4.C4H4O4/c1-2-3-12-8-17(19)22-16-9-13(4-5-15(12)16)21-11-14-10-18-6-7-20-14;5-3(6)1-2-4(7)8/h4-5,8-9,14,18H,2-3,6-7,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+