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

Systemtic Name: (E)-but-2-enedioic acid; N-decyl-2-methyl-4-piperidin-4-yloxy-aniline Openeye Name: N-decyl-2-methyl-4-(4-piperidyloxy)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-decyl-2-methyl-4-(4-piperidinyloxy)aniline IUPAC Name: (E)-but-2-enedioic acid; N-decyl-2-methyl-4-piperidin-4-yloxyaniline Traditional Name: decyl-[2-methyl-4-(4-piperidyloxy)phenyl]amine; fumaric acid Formula: C26H42N2O5 MolecularWeight: 462.62208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=C(C=C(C=C1)OC2CCNCC2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCNC1=C(C=C(C=C1)OC2CCNCC2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H38N2O.C4H4O4/c1-3-4-5-6-7-8-9-10-15-24-22-12-11-21(18-19(22)2)25-20-13-16-23-17-14-20;5-3(6)1-2-4(7)8/h11-12,18,20,23-24H,3-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+