(E)-but-2-enedioic acid; (E)-3-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-enamide

Systemtic Name: (E)-but-2-enedioic acid; (E)-3-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzyl-4-piperidyl)-3-phenyl-prop-2-enamide; fumaric acid CAS Name: (E)-2-butenedioic acid; (E)-3-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-4-yl)-3-phenylprop-2-enamide; (E)-but-2-enedioic acid Traditional Name: (E)-N-(1-benzyl-4-piperidyl)-3-phenyl-acrylamide; fumaric acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C=CC2=CC=CC=C2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1NC(=O)/C=C/C2=CC=CC=C2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24N2O.C4H4O4/c24-21(12-11-18-7-3-1-4-8-18)22-20-13-15-23(16-14-20)17-19-9-5-2-6-10-19;5-3(6)1-2-4(7)8/h1-12,20H,13-17H2,(H,22,24);1-2H,(H,5,6)(H,7,8)/b12-11+;2-1+