(E)-but-2-enedioic acid; 1'-butylspiro[11H-pyrrolo[2,1-c][1,4]benzoxazepine-6,4'-piperidine]

Systemtic Name: (E)-but-2-enedioic acid; 1'-butylspiro[11H-pyrrolo[2,1-c][1,4]benzoxazepine-6,4'-piperidine] Openeye Name: 1'-butylspiro[11H-pyrrolo[2,1-c][1,4]benzoxazepine-6,4'-piperidine]; fumaric acid CAS Name: (E)-2-butenedioic acid; 1'-butylspiro[11H-pyrrolo[2,1-c][1,4]benzoxazepine-6,4'-piperidine] IUPAC Name: (E)-but-2-enedioic acid; 1'-butylspiro[11H-pyrrolo[2,1-c][1,4]benzoxazepine-6,4'-piperidine] Traditional Name: 1'-butylspiro[11H-pyrrolo[2,1-c][1,4]benzoxazepine-6,4'-piperidine]; fumaric acid Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2(CC1)C3=CC=CN3CC4=CC=CC=C4O2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1CCC2(CC1)C3=CC=CN3CC4=CC=CC=C4O2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26N2O.C4H4O4/c1-2-3-12-21-14-10-20(11-15-21)19-9-6-13-22(19)16-17-7-4-5-8-18(17)23-20;5-3(6)1-2-4(7)8/h4-9,13H,2-3,10-12,14-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+