(E)-but-2-enedioic acid; N-pentyl-4-piperidin-4-yloxy-aniline

Systemtic Name: (E)-but-2-enedioic acid; N-pentyl-4-piperidin-4-yloxy-aniline Openeye Name: fumaric acid; N-pentyl-4-(4-piperidyloxy)aniline CAS Name: (E)-2-butenedioic acid; N-pentyl-4-(4-piperidinyloxy)aniline IUPAC Name: (E)-but-2-enedioic acid; N-pentyl-4-piperidin-4-yloxyaniline Traditional Name: amyl-[4-(4-piperidyloxy)phenyl]amine; fumaric acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC=C(C=C1)OC2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCNC1=CC=C(C=C1)OC2CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H26N2O.C4H4O4/c1-2-3-4-11-18-14-5-7-15(8-6-14)19-16-9-12-17-13-10-16;5-3(6)1-2-4(7)8/h5-8,16-18H,2-4,9-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+