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

Systemtic Name: (E)-but-2-enedioic acid; 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydro-1H-quinolin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: (E)-but-2-enedioic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydrocarbostyril; fumaric acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24N2O3.C4H4O4/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;5-3(6)1-2-4(7)8/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+