(E)-but-2-enedioic acid; 3-butyl-6-phenyl-3-azabicyclo[3.2.0]heptane

Systemtic Name: (E)-but-2-enedioic acid; 3-butyl-6-phenyl-3-azabicyclo[3.2.0]heptane Openeye Name: 3-butyl-6-phenyl-3-azabicyclo[3.2.0]heptane; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-butyl-6-phenyl-3-azabicyclo[3.2.0]heptane IUPAC Name: (E)-but-2-enedioic acid; 3-butyl-6-phenyl-3-azabicyclo[3.2.0]heptane Traditional Name: 3-butyl-6-phenyl-3-azabicyclo[3.2.0]heptane; fumaric acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CC(C2C1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1CC2CC(C2C1)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23N.C4H4O4/c1-2-3-9-17-11-14-10-15(16(14)12-17)13-7-5-4-6-8-13;5-3(6)1-2-4(7)8/h4-8,14-16H,2-3,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+