(E)-but-2-enedioic acid; 5-ethyl-1-(1-phenylpropan-2-yl)piperidin-3-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-ethyl-1-(1-phenylpropan-2-yl)piperidin-3-amine Openeye Name: 5-ethyl-1-(1-methyl-2-phenyl-ethyl)piperidin-3-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-ethyl-1-(1-phenylpropan-2-yl)-3-piperidinamine IUPAC Name: (E)-but-2-enedioic acid; 5-ethyl-1-(1-phenylpropan-2-yl)piperidin-3-amine Traditional Name: [5-ethyl-1-(1-methyl-2-phenyl-ethyl)-3-piperidyl]amine; fumaric acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN(C1)C(C)CC2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1CC(CN(C1)C(C)CC2=CC=CC=C2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H26N2.C4H4O4/c1-3-14-10-16(17)12-18(11-14)13(2)9-15-7-5-4-6-8-15;5-3(6)1-2-4(7)8/h4-8,13-14,16H,3,9-12,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+