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

Systemtic Name: (E)-but-2-enedioate; 3-[4-[(4-ethoxyphenyl)-phenyl-methoxy]piperidin-1-yl]propanoate Openeye Name: (E)-but-2-enedioate; 3-[4-[(4-ethoxyphenyl)-phenyl-methoxy]-1-piperidyl]propanoate CAS Name: (E)-2-butenedioate; 3-[4-[(4-ethoxyphenyl)-phenylmethoxy]-1-piperidinyl]propanoate IUPAC Name: (E)-but-2-enedioate; 3-[4-[(4-ethoxyphenyl)-phenylmethoxy]piperidin-1-yl]propanoate Traditional Name: 3-[4-[phenyl(p-phenetyl)methoxy]piperidino]propionate fumarate Formula: C27H30NO8-3 MolecularWeight: 496.529

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CCC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC1=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/C23H29NO4.C4H4O4/c1-2-27-20-10-8-19(9-11-20)23(18-6-4-3-5-7-18)28-21-12-15-24(16-13-21)17-14-22(25)26;5-3(6)1-2-4(7)8/h3-11,21,23H,2,12-17H2,1H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+