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

Systemtic Name: (E)-but-2-enedioate; 5-[4-[(4-methylphenyl)-phenyl-methoxy]piperidin-1-yl]pentanoate Openeye Name: (E)-but-2-enedioate; 5-[4-[phenyl(p-tolyl)methoxy]-1-piperidyl]pentanoate CAS Name: (E)-2-butenedioate; 5-[4-[(4-methylphenyl)-phenylmethoxy]-1-piperidinyl]pentanoate IUPAC Name: (E)-but-2-enedioate; 5-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]pentanoate Traditional Name: 5-[4-[phenyl(p-tolyl)methoxy]piperidino]valerate fumarate Formula: C28H32NO7-3 MolecularWeight: 494.55618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CCCCC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=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/C24H31NO3.C4H4O4/c1-19-10-12-21(13-11-19)24(20-7-3-2-4-8-20)28-22-14-17-25(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+