(E)-but-2-enedioic acid; N-ethyl-N-(phenylmethyl)-4-(piperidin-4-ylmethyl)aniline

Systemtic Name: (E)-but-2-enedioic acid; N-ethyl-N-(phenylmethyl)-4-(piperidin-4-ylmethyl)aniline Openeye Name: N-benzyl-N-ethyl-4-(4-piperidylmethyl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-ethyl-N-(phenylmethyl)-4-(4-piperidinylmethyl)aniline IUPAC Name: N-benzyl-N-ethyl-4-(piperidin-4-ylmethyl)aniline; (E)-but-2-enedioic acid Traditional Name: benzyl-ethyl-[4-(4-piperidylmethyl)phenyl]amine; fumaric acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)CC3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)CC3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H28N2.C4H4O4/c1-2-23(17-20-6-4-3-5-7-20)21-10-8-18(9-11-21)16-19-12-14-22-15-13-19;5-3(6)1-2-4(7)8/h3-11,19,22H,2,12-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+