(E)-but-2-enedioic acid; 4-pentoxy-2-(4-pentylpiperazin-1-yl)quinazoline

Systemtic Name: (E)-but-2-enedioic acid; 4-pentoxy-2-(4-pentylpiperazin-1-yl)quinazoline Openeye Name: fumaric acid; 4-pentoxy-2-(4-pentylpiperazin-1-yl)quinazoline CAS Name: (E)-2-butenedioic acid; 4-pentoxy-2-(4-pentyl-1-piperazinyl)quinazoline IUPAC Name: (E)-but-2-enedioic acid; 4-pentoxy-2-(4-pentylpiperazin-1-yl)quinazoline Traditional Name: 4-amoxy-2-(4-amylpiperazino)quinazoline; fumaric acid Formula: C26H38N4O5 MolecularWeight: 486.60372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCCCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCCCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H34N4O.C4H4O4/c1-3-5-9-13-25-14-16-26(17-15-25)22-23-20-12-8-7-11-19(20)21(24-22)27-18-10-6-4-2;5-3(6)1-2-4(7)8/h7-8,11-12H,3-6,9-10,13-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+