(E)-but-2-enedioic acid; 2-[(2R)-2-methylpiperazin-1-yl]-3-(2-pyridin-3-yloxyethoxy)pyrazine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(2R)-2-methylpiperazin-1-yl]-3-(2-pyridin-3-yloxyethoxy)pyrazine Openeye Name: fumaric acid; 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-(3-pyridyloxy)ethoxy]pyrazine CAS Name: (E)-2-butenedioic acid; 2-[(2R)-2-methyl-1-piperazinyl]-3-[2-(3-pyridinyloxy)ethoxy]pyrazine IUPAC Name: (E)-but-2-enedioic acid; 2-[(2R)-2-methylpiperazin-1-yl]-3-(2-pyridin-3-yloxyethoxy)pyrazine Traditional Name: fumaric acid; 2-[(2R)-2-methylpiperazino]-3-[2-(3-pyridyloxy)ethoxy]pyrazine Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=NC=CN=C2OCCOC3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[C@@H]1CNCCN1C2=NC=CN=C2OCCOC3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21N5O2.C4H4O4/c1-13-11-18-7-8-21(13)15-16(20-6-5-19-15)23-10-9-22-14-3-2-4-17-12-14;5-3(6)1-2-4(7)8/h2-6,12-13,18H,7-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m1./s1