(E)-but-2-enedioic acid; N-(cyclopropylmethyl)-N-methyl-2-(3-phenyl-2H-1-benzofuran-3-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-(cyclopropylmethyl)-N-methyl-2-(3-phenyl-2H-1-benzofuran-3-yl)ethanamine Openeye Name: N-(cyclopropylmethyl)-N-methyl-2-(3-phenyl-2H-benzofuran-3-yl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(cyclopropylmethyl)-N-methyl-2-(3-phenyl-2H-benzofuran-3-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-(cyclopropylmethyl)-N-methyl-2-(3-phenyl-2H-1-benzofuran-3-yl)ethanamine Traditional Name: cyclopropylmethyl-methyl-[2-(3-phenylcoumaran-3-yl)ethyl]amine; fumaric acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1(COC2=CC=CC=C21)C3=CC=CC=C3)CC4CC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC1(COC2=CC=CC=C21)C3=CC=CC=C3)CC4CC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H25NO.C4H4O4/c1-22(15-17-11-12-17)14-13-21(18-7-3-2-4-8-18)16-23-20-10-6-5-9-19(20)21;5-3(6)1-2-4(7)8/h2-10,17H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+