(E)-but-2-enedioate; 4-[4-(diphenylmethyl)oxypiperidin-1-yl]butanoate

Systemtic Name: (E)-but-2-enedioate; 4-[4-(diphenylmethyl)oxypiperidin-1-yl]butanoate Openeye Name: 4-(4-benzhydryloxy-1-piperidyl)butanoate; (E)-but-2-enedioate CAS Name: (E)-2-butenedioate; 4-[4-(diphenylmethyl)oxy-1-piperidinyl]butanoate IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)butanoate; (E)-but-2-enedioate Traditional Name: 4-(4-benzhydryloxypiperidino)butyrate fumarate Formula: C26H28NO7-3 MolecularWeight: 466.50302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C22H27NO3.C4H4O4/c24-21(25)12-7-15-23-16-13-20(14-17-23)26-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19;5-3(6)1-2-4(7)8/h1-6,8-11,20,22H,7,12-17H2,(H,24,25);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+