(E)-but-2-enedioic acid; 1-(4-tert-butylphenyl)-4-(4-oxidanylpiperidin-1-yl)butan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-tert-butylphenyl)-4-(4-oxidanylpiperidin-1-yl)butan-1-one Openeye Name: 1-(4-tert-butylphenyl)-4-(4-hydroxy-1-piperidyl)butan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-tert-butylphenyl)-4-(4-hydroxy-1-piperidinyl)-1-butanone IUPAC Name: (E)-but-2-enedioic acid; 1-(4-tert-butylphenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one Traditional Name: 1-(4-tert-butylphenyl)-4-(4-hydroxypiperidino)butan-1-one; fumaric acid Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)O.C(=C/C(=O)O)\C(=O)O

InChI

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