(E)-but-2-enedioic acid; N-methyl-1-(4-nitrophenyl)-N-phenethyl-piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-1-(4-nitrophenyl)-N-phenethyl-piperidin-4-amine Openeye Name: fumaric acid; N-methyl-1-(4-nitrophenyl)-N-phenethyl-piperidin-4-amine CAS Name: (E)-2-butenedioic acid; N-methyl-1-(4-nitrophenyl)-N-phenethyl-4-piperidinamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-1-(4-nitrophenyl)-N-phenethylpiperidin-4-amine Traditional Name: fumaric acid; methyl-[1-(4-nitrophenyl)-4-piperidyl]-phenethyl-amine Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25N3O2.C4H4O4/c1-21(14-11-17-5-3-2-4-6-17)18-12-15-22(16-13-18)19-7-9-20(10-8-19)23(24)25;5-3(6)1-2-4(7)8/h2-10,18H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+