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

Systemtic Name: (E)-but-2-enedioic acid; 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-8-methoxy-3,4-dihydro-1H-quinolin-2-one Openeye Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-8-methoxy-3,4-dihydro-1H-quinolin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-methoxy-3,4-dihydro-1H-quinolin-2-one IUPAC Name: (E)-but-2-enedioic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-methoxy-3,4-dihydro-1H-quinolin-2-one Traditional Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-8-methoxy-3,4-dihydrocarbostyril; fumaric acid Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4.C4H4O4/c1-17(2,3)18-9-11(20)10-23-13-6-7-14(22-4)16-12(13)5-8-15(21)19-16;5-3(6)1-2-4(7)8/h6-7,11,18,20H,5,8-10H2,1-4H3,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+