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

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-phenyl-N-[2-(3-phenyl-2H-1-benzofuran-3-yl)ethyl]ethanamine Openeye Name: fumaric acid; N-methyl-2-phenyl-N-[2-(3-phenyl-2H-benzofuran-3-yl)ethyl]ethanamine CAS Name: (E)-2-butenedioic acid; N-methyl-2-phenyl-N-[2-(3-phenyl-2H-benzofuran-3-yl)ethyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-phenyl-N-[2-(3-phenyl-2H-1-benzofuran-3-yl)ethyl]ethanamine Traditional Name: fumaric acid; methyl-phenethyl-[2-(3-phenylcoumaran-3-yl)ethyl]amine Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CCC2(COC3=CC=CC=C32)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)CCC2(COC3=CC=CC=C32)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H27NO.C4H4O4/c1-26(18-16-21-10-4-2-5-11-21)19-17-25(22-12-6-3-7-13-22)20-27-24-15-9-8-14-23(24)25;5-3(6)1-2-4(7)8/h2-15H,16-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+