(E)-but-2-enedioic acid; ethyl 4-[4-(diphenylmethyl)oxypiperidin-1-yl]butanoate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 4-[4-(diphenylmethyl)oxypiperidin-1-yl]butanoate Openeye Name: ethyl 4-(4-benzhydryloxy-1-piperidyl)butanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[4-(diphenylmethyl)oxy-1-piperidinyl]butanoic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-(4-benzhydryloxypiperidin-1-yl)butanoate Traditional Name: 4-(4-benzhydryloxypiperidino)butyric acid ethyl ester; fumaric acid Formula: C28H35NO7 MolecularWeight: 497.58

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)CCCN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H31NO3.C4H4O4/c1-2-27-23(26)14-9-17-25-18-15-22(16-19-25)28-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21;5-3(6)1-2-4(7)8/h3-8,10-13,22,24H,2,9,14-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+