(E)-but-2-enedioic acid; 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-8-oxidanyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-8-oxidanyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one IUPAC Name: (E)-but-2-enedioic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one Traditional Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-8-hydroxy-3,4-dihydrocarbostyril; fumaric acid Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C2CCC(=O)NC2=C(C=C1)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C2CCC(=O)NC2=C(C=C1)O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24N2O4.C4H4O4/c1-16(2,3)17-8-10(19)9-22-13-6-5-12(20)15-11(13)4-7-14(21)18-15;5-3(6)1-2-4(7)8/h5-6,10,17,19-20H,4,7-9H2,1-3H3,(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+