(E)-but-2-enedioic acid; N-[2-(3-phenoxyphenyl)butyl]cyclopropanamine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(3-phenoxyphenyl)butyl]cyclopropanamine Openeye Name: fumaric acid; N-[2-(3-phenoxyphenyl)butyl]cyclopropanamine CAS Name: (E)-2-butenedioic acid; N-[2-(3-phenoxyphenyl)butyl]cyclopropanamine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(3-phenoxyphenyl)butyl]cyclopropanamine Traditional Name: cyclopropyl-[2-(3-phenoxyphenyl)butyl]amine; fumaric acid Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1CC1)C2=CC(=CC=C2)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CNC1CC1)C2=CC(=CC=C2)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H23NO.C4H4O4/c1-2-15(14-20-17-11-12-17)16-7-6-10-19(13-16)21-18-8-4-3-5-9-18;5-3(6)1-2-4(7)8/h3-10,13,15,17,20H,2,11-12,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+