(E)-but-2-enedioate; 2-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]ethanoate

Systemtic Name: (E)-but-2-enedioate; 2-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]ethanoate Openeye Name: (E)-but-2-enedioate; 2-[4-[(4-methoxyphenyl)-phenyl-methoxy]-1-piperidyl]acetate CAS Name: (E)-2-butenedioate; 2-[4-[(4-methoxyphenyl)-phenylmethoxy]-1-piperidinyl]acetate IUPAC Name: (E)-but-2-enedioate; 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetate Traditional Name: 2-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidino]acetate fumarate Formula: C25H26NO8-3 MolecularWeight: 468.47584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CC(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C21H25NO4.C4H4O4/c1-25-18-9-7-17(8-10-18)21(16-5-3-2-4-6-16)26-19-11-13-22(14-12-19)15-20(23)24;5-3(6)1-2-4(7)8/h2-10,19,21H,11-15H2,1H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+