(E)-but-2-enedioic acid; 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-1-phenyl-propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-1-phenyl-propan-1-one Openeye Name: fumaric acid; 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-1-phenyl-propan-1-one CAS Name: (E)-2-butenedioic acid; 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-1-phenylpropan-1-one Traditional Name: fumaric acid; 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-1-phenyl-propan-1-one Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27NO2.C4H4O4/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19;5-3(6)1-2-4(7)8/h3-10,15,17,24H,11-14,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+