(E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: fumaric acid; 3-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-3-pyrrolidinyl)-2,2-diphenyl-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: fumaric acid; 3-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-1-pyrrolidino-propan-1-one Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H30N2O.C4H4O4/c1-25-17-14-20(19-25)18-24(21-10-4-2-5-11-21,22-12-6-3-7-13-22)23(27)26-15-8-9-16-26;5-3(6)1-2-4(7)8/h2-7,10-13,20H,8-9,14-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+