(E)-but-2-enedioic acid; 2-(7-methoxy-3,4-dihydronaphthalen-2-yl)pyridin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(7-methoxy-3,4-dihydronaphthalen-2-yl)pyridin-4-amine Openeye Name: fumaric acid; 2-(7-methoxy-3,4-dihydronaphthalen-2-yl)pyridin-4-amine CAS Name: (E)-2-butenedioic acid; 2-(7-methoxy-3,4-dihydronaphthalen-2-yl)-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; 2-(7-methoxy-3,4-dihydronaphthalen-2-yl)pyridin-4-amine Traditional Name: fumaric acid; [2-(7-methoxy-3,4-dihydronaphthalen-2-yl)-4-pyridyl]amine Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(=C2)C3=NC=CC(=C3)N)C=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(CCC(=C2)C3=NC=CC(=C3)N)C=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16N2O.C4H4O4/c1-19-15-5-4-11-2-3-12(8-13(11)9-15)16-10-14(17)6-7-18-16;5-3(6)1-2-4(7)8/h4-10H,2-3H2,1H3,(H2,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+