(E)-but-2-enedioic acid; 6-[(6,7,8-trimethoxy-2-methyl-quinazolin-4-yl)amino]hexan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 6-[(6,7,8-trimethoxy-2-methyl-quinazolin-4-yl)amino]hexan-1-ol Openeye Name: fumaric acid; 6-[(6,7,8-trimethoxy-2-methyl-quinazolin-4-yl)amino]hexan-1-ol CAS Name: (E)-2-butenedioic acid; 6-[(6,7,8-trimethoxy-2-methyl-4-quinazolinyl)amino]-1-hexanol IUPAC Name: (E)-but-2-enedioic acid; 6-[(6,7,8-trimethoxy-2-methylquinazolin-4-yl)amino]hexan-1-ol Traditional Name: fumaric acid; 6-[(6,7,8-trimethoxy-2-methyl-quinazolin-4-yl)amino]hexan-1-ol Formula: C22H31N3O8 MolecularWeight: 465.49684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2C(=N1)NCCCCCCO)OC)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2C(=N1)NCCCCCCO)OC)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H27N3O4.C4H4O4/c1-12-20-15-13(11-14(23-2)16(24-3)17(15)25-4)18(21-12)19-9-7-5-6-8-10-22;5-3(6)1-2-4(7)8/h11,22H,5-10H2,1-4H3,(H,19,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+