(E)-but-2-enedioic acid; 4,8-dimethyl-7-(morpholin-2-ylmethoxy)-3-propan-2-yl-chromen-2-one

Systemtic Name: (E)-but-2-enedioic acid; 4,8-dimethyl-7-(morpholin-2-ylmethoxy)-3-propan-2-yl-chromen-2-one Openeye Name: fumaric acid; 3-isopropyl-4,8-dimethyl-7-(morpholin-2-ylmethoxy)chromen-2-one CAS Name: (E)-2-butenedioic acid; 4,8-dimethyl-7-(2-morpholinylmethoxy)-3-propan-2-yl-1-benzopyran-2-one IUPAC Name: (E)-but-2-enedioic acid; 4,8-dimethyl-7-(morpholin-2-ylmethoxy)-3-propan-2-ylchromen-2-one Traditional Name: fumaric acid; 3-isopropyl-4,8-dimethyl-7-(morpholin-2-ylmethoxy)coumarin Formula: C23H29NO8 MolecularWeight: 447.47826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3CNCCO3)C(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3CNCCO3)C(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H25NO4.C4H4O4/c1-11(2)17-12(3)15-5-6-16(13(4)18(15)24-19(17)21)23-10-14-9-20-7-8-22-14;5-3(6)1-2-4(7)8/h5-6,11,14,20H,7-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+