(E)-but-2-enedioic acid; 3-(1-phenethyl-3,6-dihydro-2H-pyridin-5-yl)phenol

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-phenethyl-3,6-dihydro-2H-pyridin-5-yl)phenol Openeye Name: fumaric acid; 3-(1-phenethyl-3,6-dihydro-2H-pyridin-5-yl)phenol CAS Name: (E)-2-butenedioic acid; 3-(1-phenethyl-3,6-dihydro-2H-pyridin-5-yl)phenol IUPAC Name: (E)-but-2-enedioic acid; 3-(1-phenethyl-3,6-dihydro-2H-pyridin-5-yl)phenol Traditional Name: fumaric acid; 3-(1-phenethyl-3,6-dihydro-2H-pyridin-5-yl)phenol Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=C1)C2=CC(=CC=C2)O)CCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC(=C1)C2=CC(=CC=C2)O)CCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21NO.C4H4O4/c21-19-10-4-8-17(14-19)18-9-5-12-20(15-18)13-11-16-6-2-1-3-7-16;5-3(6)1-2-4(7)8/h1-4,6-10,14,21H,5,11-13,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+