(E)-but-2-enedioic acid; 3-[2-(4-ethoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]propanoate

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(4-ethoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]propanoate Openeye Name: 3-[2-benzyloxy-2-(4-ethoxyphenyl)-1-piperidyl]propanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[2-(4-ethoxyphenyl)-2-phenylmethoxy-1-piperidinyl]propanoate IUPAC Name: (E)-but-2-enedioic acid; 3-[2-(4-ethoxyphenyl)-2-phenylmethoxypiperidin-1-yl]propanoate Traditional Name: 3-(2-benzoxy-2-p-phenetyl-piperidino)propionate; fumaric acid Formula: C27H32NO8- MolecularWeight: 498.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(CCCCN2CCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(CCCCN2CCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H29NO4.C4H4O4/c1-2-27-21-12-10-20(11-13-21)23(28-18-19-8-4-3-5-9-19)15-6-7-16-24(23)17-14-22(25)26;5-3(6)1-2-4(7)8/h3-5,8-13H,2,6-7,14-18H2,1H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+