(E)-but-2-enedioic acid; 1-[3-(2,3-dimethylphenoxy)-1-oxidanyl-propyl]-4-quinoxalin-2-yl-piperidin-4-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(2,3-dimethylphenoxy)-1-oxidanyl-propyl]-4-quinoxalin-2-yl-piperidin-4-ol Openeye Name: 1-[3-(2,3-dimethylphenoxy)-1-hydroxy-propyl]-4-quinoxalin-2-yl-piperidin-4-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[3-(2,3-dimethylphenoxy)-1-hydroxypropyl]-4-(2-quinoxalinyl)-4-piperidinol IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(2,3-dimethylphenoxy)-1-hydroxypropyl]-4-quinoxalin-2-ylpiperidin-4-ol Traditional Name: 1-[3-(2,3-dimethylphenoxy)-1-hydroxy-propyl]-4-quinoxalin-2-yl-piperidin-4-ol; fumaric acid Formula: C28H33N3O7 MolecularWeight: 523.57752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCC(N2CCC(CC2)(C3=NC4=CC=CC=C4N=C3)O)O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OCCC(N2CCC(CC2)(C3=NC4=CC=CC=C4N=C3)O)O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H29N3O3.C4H4O4/c1-17-6-5-9-21(18(17)2)30-15-10-23(28)27-13-11-24(29,12-14-27)22-16-25-19-7-3-4-8-20(19)26-22;5-3(6)1-2-4(7)8/h3-9,16,23,28-29H,10-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+