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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4.C4H4O4/c1-27-20-11-9-19(10-12-20)23(18-6-3-2-4-7-18)28-21-13-16-24(17-14-21)15-5-8-22(25)26;5-3(6)1-2-4(7)8/h2-4,6-7,9-12,21,23H,5,8,13-17H2,1H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+