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

Systemtic Name: (E)-but-2-enedioic acid; 3-[(4-methoxy-2,6-dimethyl-phenoxy)methyl]-1-methyl-piperidine Openeye Name: fumaric acid; 3-[(4-methoxy-2,6-dimethyl-phenoxy)methyl]-1-methyl-piperidine CAS Name: (E)-2-butenedioic acid; 3-[(4-methoxy-2,6-dimethylphenoxy)methyl]-1-methylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 3-[(4-methoxy-2,6-dimethylphenoxy)methyl]-1-methylpiperidine Traditional Name: fumaric acid; 3-[(4-methoxy-2,6-dimethyl-phenoxy)methyl]-1-methyl-piperidine Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2.C4H4O4/c1-12-8-15(18-4)9-13(2)16(12)19-11-14-6-5-7-17(3)10-14;5-3(6)1-2-4(7)8/h8-9,14H,5-7,10-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+