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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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