(E)-but-2-enedioic acid; 1-(4-phenylmethoxyphenyl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-phenylmethoxyphenyl)propan-2-amine Openeye Name: 1-(4-benzyloxyphenyl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-phenylmethoxyphenyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(4-phenylmethoxyphenyl)propan-2-amine Traditional Name: [2-(4-benzoxyphenyl)-1-methyl-ethyl]amine; fumaric acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19NO.C4H4O4/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15;5-3(6)1-2-4(7)8/h2-10,13H,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+