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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)phenol Openeye Name: 3-(1-allyl-3,6-dihydro-2H-pyridin-5-yl)phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)phenol IUPAC Name: (E)-but-2-enedioic acid; 3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)phenol Traditional Name: 3-(1-allyl-3,6-dihydro-2H-pyridin-5-yl)phenol; fumaric acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC=C(C1)C2=CC(=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCN1CCC=C(C1)C2=CC(=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17NO.C4H4O4/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;5-3(6)1-2-4(7)8/h2-3,5-7,10,16H,1,4,8-9,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+