(E)-but-2-enedioic acid; 7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-chromen-4-one Openeye Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-chromen-4-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 7-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylchromen-4-one Traditional Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-chromone; fumaric acid Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(O1)C=C(C=C2)OCC(CNC(C)(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=O)C2=C(O1)C=C(C=C2)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23NO4.C4H4O4/c1-11-7-15(20)14-6-5-13(8-16(14)22-11)21-10-12(19)9-18-17(2,3)4;5-3(6)1-2-4(7)8/h5-8,12,18-19H,9-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+