(E)-but-2-enedioate; 5-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]pentanoate

Systemtic Name: (E)-but-2-enedioate; 5-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]pentanoate Openeye Name: (E)-but-2-enedioate; 5-[4-[(4-methoxyphenyl)-phenyl-methoxy]-1-piperidyl]pentanoate CAS Name: (E)-2-butenedioate; 5-[4-[(4-methoxyphenyl)-phenylmethoxy]-1-piperidinyl]pentanoate IUPAC Name: (E)-but-2-enedioate; 5-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]pentanoate Traditional Name: 5-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidino]valerate fumarate Formula: C28H32NO8-3 MolecularWeight: 510.55558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4.C4H4O4/c1-28-21-12-10-20(11-13-21)24(19-7-3-2-4-8-19)29-22-14-17-25(18-15-22)16-6-5-9-23(26)27;5-3(6)1-2-4(7)8/h2-4,7-8,10-13,22,24H,5-6,9,14-18H2,1H3,(H,26,27);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+