(E)-but-2-enedioic acid; 2-(5,7-dimethyl-3,4-dihydronaphthalen-2-yl)pyridin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(5,7-dimethyl-3,4-dihydronaphthalen-2-yl)pyridin-4-amine Openeye Name: 2-(5,7-dimethyl-3,4-dihydronaphthalen-2-yl)pyridin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(5,7-dimethyl-3,4-dihydronaphthalen-2-yl)-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; 2-(5,7-dimethyl-3,4-dihydronaphthalen-2-yl)pyridin-4-amine Traditional Name: [2-(5,7-dimethyl-3,4-dihydronaphthalen-2-yl)-4-pyridyl]amine; fumaric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CCC(=CC2=C1)C3=NC=CC(=C3)N)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C2CCC(=CC2=C1)C3=NC=CC(=C3)N)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H18N2.C4H4O4/c1-11-7-12(2)16-4-3-13(9-14(16)8-11)17-10-15(18)5-6-19-17;5-3(6)1-2-4(7)8/h5-10H,3-4H2,1-2H3,(H2,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+