(E)-but-2-enedioic acid; N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-ethanamide Openeye Name: N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-2-(1-methyl-3-pyrrolidinyl)-2,2-diphenylacetamide IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenylacetamide Traditional Name: N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-acetamide; fumaric acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O.C4H4O4/c1-22(2)20(24)21(17-10-6-4-7-11-17,18-12-8-5-9-13-18)19-14-15-23(3)16-19;5-3(6)1-2-4(7)8/h4-13,19H,14-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+