(E)-but-2-enedioic acid; 2-(5-methoxy-2-phenyl-phenyl)-1,1-dimethyl-guanidine

Systemtic Name: (E)-but-2-enedioic acid; 2-(5-methoxy-2-phenyl-phenyl)-1,1-dimethyl-guanidine Openeye Name: fumaric acid; 2-(5-methoxy-2-phenyl-phenyl)-1,1-dimethyl-guanidine CAS Name: (E)-2-butenedioic acid; 2-(5-methoxy-2-phenylphenyl)-1,1-dimethylguanidine IUPAC Name: (E)-but-2-enedioic acid; 2-(5-methoxy-2-phenylphenyl)-1,1-dimethylguanidine Traditional Name: fumaric acid; 2-(5-methoxy-2-phenyl-phenyl)-1,1-dimethyl-guanidine Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NC1=C(C=CC(=C1)OC)C2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C(=NC1=C(C=CC(=C1)OC)C2=CC=CC=C2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N3O.C4H4O4/c1-19(2)16(17)18-15-11-13(20-3)9-10-14(15)12-7-5-4-6-8-12;5-3(6)1-2-4(7)8/h4-11H,1-3H3,(H2,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+