(E)-but-2-enedioic acid; 5-chloranyl-2-methoxy-N-methyl-N-[1-(phenylmethyl)piperidin-4-yl]benzamide

Systemtic Name: (E)-but-2-enedioic acid; 5-chloranyl-2-methoxy-N-methyl-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-5-chloro-2-methoxy-N-methyl-benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-chloro-2-methoxy-N-methyl-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-N-methylbenzamide; (E)-but-2-enedioic acid Traditional Name: N-(1-benzyl-4-piperidyl)-5-chloro-2-methoxy-N-methyl-benzamide; fumaric acid Formula: C25H29ClN2O6 MolecularWeight: 488.96056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Cl)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Cl)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H25ClN2O2.C4H4O4/c1-23(21(25)19-14-17(22)8-9-20(19)26-2)18-10-12-24(13-11-18)15-16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h3-9,14,18H,10-13,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+