(E)-but-2-enedioic acid; 2-[(3-chlorophenyl)-phenyl-methoxy]-1-methyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(3-chlorophenyl)-phenyl-methoxy]-1-methyl-piperidine Openeye Name: 2-[(3-chlorophenyl)-phenyl-methoxy]-1-methyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[(3-chlorophenyl)-phenylmethoxy]-1-methylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 2-[(3-chlorophenyl)-phenylmethoxy]-1-methylpiperidine Traditional Name: 2-[(3-chlorophenyl)-phenyl-methoxy]-1-methyl-piperidine; fumaric acid Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1OC(C2=CC=CC=C2)C3=CC(=CC=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCCC1OC(C2=CC=CC=C2)C3=CC(=CC=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22ClNO.C4H4O4/c1-21-13-6-5-12-18(21)22-19(15-8-3-2-4-9-15)16-10-7-11-17(20)14-16;5-3(6)1-2-4(7)8/h2-4,7-11,14,18-19H,5-6,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+