(E)-but-2-enedioic acid; (1-ethylpiperidin-4-yl) 3-methyl-2-phenyl-pentanoate

Systemtic Name: (E)-but-2-enedioic acid; (1-ethylpiperidin-4-yl) 3-methyl-2-phenyl-pentanoate Openeye Name: (1-ethyl-4-piperidyl) 3-methyl-2-phenyl-pentanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-methyl-2-phenylpentanoic acid (1-ethyl-4-piperidinyl) ester IUPAC Name: (E)-but-2-enedioic acid; (1-ethylpiperidin-4-yl) 3-methyl-2-phenylpentanoate Traditional Name: fumaric acid; 3-methyl-2-phenyl-valeric acid (1-ethyl-4-piperidyl) ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC2CCN(CC2)CC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OC2CCN(CC2)CC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H29NO2.C4H4O4/c1-4-15(3)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(5-2)14-12-17;5-3(6)1-2-4(7)8/h6-10,15,17-18H,4-5,11-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+