(E)-but-2-enedioate; 3-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]propanoate

Systemtic Name: (E)-but-2-enedioate; 3-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]propanoate Openeye Name: (E)-but-2-enedioate; 3-[4-[(4-methoxyphenyl)-phenyl-methoxy]-1-piperidyl]propanoate CAS Name: (E)-2-butenedioate; 3-[4-[(4-methoxyphenyl)-phenylmethoxy]-1-piperidinyl]propanoate IUPAC Name: (E)-but-2-enedioate; 3-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]propanoate Traditional Name: 3-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidino]propionate fumarate Formula: C26H28NO8-3 MolecularWeight: 482.50242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4.C4H4O4/c1-26-19-9-7-18(8-10-19)22(17-5-3-2-4-6-17)27-20-11-14-23(15-12-20)16-13-21(24)25;5-3(6)1-2-4(7)8/h2-10,20,22H,11-16H2,1H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+