(E)-but-2-enedioic acid; 5-[2-(4-chlorophenyl)-2-phenylmethoxy-piperidin-1-yl]pentanoate

Systemtic Name: (E)-but-2-enedioic acid; 5-[2-(4-chlorophenyl)-2-phenylmethoxy-piperidin-1-yl]pentanoate Openeye Name: 5-[2-benzyloxy-2-(4-chlorophenyl)-1-piperidyl]pentanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[2-(4-chlorophenyl)-2-phenylmethoxy-1-piperidinyl]pentanoate IUPAC Name: (E)-but-2-enedioic acid; 5-[2-(4-chlorophenyl)-2-phenylmethoxypiperidin-1-yl]pentanoate Traditional Name: 5-[2-benzoxy-2-(4-chlorophenyl)piperidino]valerate; fumaric acid Formula: C27H31ClNO7- MolecularWeight: 516.99054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3)CCCCC(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C(C1)(C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3)CCCCC(=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H28ClNO3.C4H4O4/c24-21-13-11-20(12-14-21)23(28-18-19-8-2-1-3-9-19)15-5-7-17-25(23)16-6-4-10-22(26)27;5-3(6)1-2-4(7)8/h1-3,8-9,11-14H,4-7,10,15-18H2,(H,26,27);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+