(E)-but-2-enedioic acid; N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine Openeye Name: N,N-dimethyl-2-[3-[1-(2-pyridyl)ethyl]-1H-inden-2-yl]ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-2-[3-[1-(2-pyridinyl)ethyl]-1H-inden-2-yl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine Traditional Name: dimethyl-[2-[3-[1-(2-pyridyl)ethyl]-1H-inden-2-yl]ethyl]amine; fumaric acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+