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

Systemtic Name: (E)-but-2-enedioic acid; 2-(7-chloranyl-3,4-dihydronaphthalen-2-yl)-5-methyl-pyridin-4-amine Openeye Name: 2-(7-chloro-3,4-dihydronaphthalen-2-yl)-5-methyl-pyridin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(7-chloro-3,4-dihydronaphthalen-2-yl)-5-methyl-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; 2-(7-chloro-3,4-dihydronaphthalen-2-yl)-5-methylpyridin-4-amine Traditional Name: [2-(7-chloro-3,4-dihydronaphthalen-2-yl)-5-methyl-4-pyridyl]amine; fumaric acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1N)C2=CC3=C(CC2)C=CC(=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1N)C2=CC3=C(CC2)C=CC(=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H15ClN2.C4H4O4/c1-10-9-19-16(8-15(10)18)12-3-2-11-4-5-14(17)7-13(11)6-12;5-3(6)1-2-4(7)8/h4-9H,2-3H2,1H3,(H2,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+