(E)-but-2-enedioic acid; (4-dimethylaminophenyl)-[1-(phenylmethyl)piperidin-4-yl]methanone

Systemtic Name: (E)-but-2-enedioic acid; (4-dimethylaminophenyl)-[1-(phenylmethyl)piperidin-4-yl]methanone Openeye Name: (1-benzyl-4-piperidyl)-(4-dimethylaminophenyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; (4-dimethylaminophenyl)-[1-(phenylmethyl)-4-piperidinyl]methanone IUPAC Name: (1-benzylpiperidin-4-yl)-(4-dimethylaminophenyl)methanone; (E)-but-2-enedioic acid Traditional Name: (1-benzyl-4-piperidyl)-(4-dimethylaminophenyl)methanone; fumaric acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

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