(E)-but-2-enedioic acid; 3-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-1-methyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 3-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-1-methyl-piperidine Openeye Name: 3-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-1-methyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[(4-chloro-2,6-dimethylphenoxy)methyl]-1-methylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 3-[(4-chloro-2,6-dimethylphenoxy)methyl]-1-methylpiperidine Traditional Name: 3-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-1-methyl-piperidine; fumaric acid Formula: C19H26ClNO5 MolecularWeight: 383.86644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2CCCN(C2)C)C)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCC2CCCN(C2)C)C)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22ClNO.C4H4O4/c1-11-7-14(16)8-12(2)15(11)18-10-13-5-4-6-17(3)9-13;5-3(6)1-2-4(7)8/h7-8,13H,4-6,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+