2-(5-bromanylspiro[3H-1-benzofuran-2,1'-cyclohexane]-3-yl)ethanamine; (E)-but-2-enedioic acid

Systemtic Name: 2-(5-bromanylspiro[3H-1-benzofuran-2,1'-cyclohexane]-3-yl)ethanamine; (E)-but-2-enedioic acid Openeye Name: 2-(5-bromospiro[3H-benzofuran-2,1'-cyclohexane]-3-yl)ethanamine; fumaric acid CAS Name: 2-(5-bromo-3-spiro[3H-benzofuran-2,1'-cyclohexane]yl)ethanamine; (E)-2-butenedioic acid IUPAC Name: 2-(5-bromospiro[3H-1-benzofuran-2,1'-cyclohexane]-3-yl)ethanamine; (E)-but-2-enedioic acid Traditional Name: 2-(5-bromospiro[coumaran-2,1'-cyclohexane]-3-yl)ethylamine; fumaric acid Formula: C19H24BrNO5 MolecularWeight: 426.30156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C3=C(O2)C=CC(=C3)Br)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC2(CC1)C(C3=C(O2)C=CC(=C3)Br)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20BrNO.C4H4O4/c16-11-4-5-14-12(10-11)13(6-9-17)15(18-14)7-2-1-3-8-15;5-3(6)1-2-4(7)8/h4-5,10,13H,1-3,6-9,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+