(E)-but-2-enedioic acid; 5-[2-(4-methylphenyl)-2-phenylmethoxy-piperidin-1-yl]pentanoate

Systemtic Name: (E)-but-2-enedioic acid; 5-[2-(4-methylphenyl)-2-phenylmethoxy-piperidin-1-yl]pentanoate Openeye Name: 5-[2-benzyloxy-2-(p-tolyl)-1-piperidyl]pentanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[2-(4-methylphenyl)-2-phenylmethoxy-1-piperidinyl]pentanoate IUPAC Name: (E)-but-2-enedioic acid; 5-[2-(4-methylphenyl)-2-phenylmethoxypiperidin-1-yl]pentanoate Traditional Name: 5-[2-benzoxy-2-(p-tolyl)piperidino]valerate; fumaric acid Formula: C28H34NO7- MolecularWeight: 496.57206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCCN2CCCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCCN2CCCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H31NO3.C4H4O4/c1-20-12-14-22(15-13-20)24(28-19-21-9-3-2-4-10-21)16-6-8-18-25(24)17-7-5-11-23(26)27;5-3(6)1-2-4(7)8/h2-4,9-10,12-15H,5-8,11,16-19H2,1H3,(H,26,27);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+