(E)-but-2-enedioic acid; [1-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]piperidin-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: (E)-but-2-enedioic acid; [1-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]piperidin-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-[3-(benzylamino)-3-oxo-propyl]-4-piperidyl] 2-hydroxy-2,2-diphenyl-acetate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-hydroxy-2,2-diphenylacetic acid [1-[3-oxo-3-[(phenylmethyl)amino]propyl]-4-piperidinyl] ester IUPAC Name: [1-[3-(benzylamino)-3-oxopropyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 2-hydroxy-2,2-diphenyl-acetic acid [1-[3-(benzylamino)-3-keto-propyl]-4-piperidyl] ester Formula: C33H36N2O8 MolecularWeight: 588.64754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC(=O)NCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC(=O)NCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C29H32N2O4.C4H4O4/c32-27(30-22-23-10-4-1-5-11-23)18-21-31-19-16-26(17-20-31)35-28(33)29(34,24-12-6-2-7-13-24)25-14-8-3-9-15-25;5-3(6)1-2-4(7)8/h1-15,26,34H,16-22H2,(H,30,32);1-2H,(H,5,6)(H,7,8)/b;2-1+