(E)-but-2-enedioic acid; 4-pentoxy-3-(4-propylpiperazin-1-yl)-2H-quinazoline

Systemtic Name: (E)-but-2-enedioic acid; 4-pentoxy-3-(4-propylpiperazin-1-yl)-2H-quinazoline Openeye Name: fumaric acid; 4-pentoxy-3-(4-propylpiperazin-1-yl)-2H-quinazoline CAS Name: (E)-2-butenedioic acid; 4-pentoxy-3-(4-propyl-1-piperazinyl)-2H-quinazoline IUPAC Name: (E)-but-2-enedioic acid; 4-pentoxy-3-(4-propylpiperazin-1-yl)-2H-quinazoline Traditional Name: 4-amoxy-3-(4-propylpiperazino)-2H-quinazoline; fumaric acid Formula: C24H36N4O5 MolecularWeight: 460.56644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C=CC=CC2=NCN1N3CCN(CC3)CCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCOC1=C2C=CC=CC2=NCN1N3CCN(CC3)CCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H32N4O.C4H4O4/c1-3-5-8-16-25-20-18-9-6-7-10-19(18)21-17-24(20)23-14-12-22(11-4-2)13-15-23;5-3(6)1-2-4(7)8/h6-7,9-10H,3-5,8,11-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+