(E)-but-2-enedioic acid; 5,5-diphenyl-1-(propylaminomethyl)piperidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5,5-diphenyl-1-(propylaminomethyl)piperidin-2-one Openeye Name: 5,5-diphenyl-1-(propylaminomethyl)piperidin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 5,5-diphenyl-1-(propylaminomethyl)-2-piperidinone IUPAC Name: (E)-but-2-enedioic acid; 5,5-diphenyl-1-(propylaminomethyl)piperidin-2-one Traditional Name: 5,5-diphenyl-1-(propylaminomethyl)-2-piperidone; fumaric acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCN1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNCN1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N2O.C4H4O4/c1-2-15-22-17-23-16-21(14-13-20(23)24,18-9-5-3-6-10-18)19-11-7-4-8-12-19;5-3(6)1-2-4(7)8/h3-12,22H,2,13-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+