(E)-but-2-enedioic acid; (7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone

Systemtic Name: (E)-but-2-enedioic acid; (7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone Openeye Name: (7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; (7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone IUPAC Name: (E)-but-2-enedioic acid; (7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone Traditional Name: (7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone; fumaric acid Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H28N2O2.C4H4O4/c1-3-4-9-20-11-15-10-16(12-20)14-21(13-15)19(22)17-5-7-18(23-2)8-6-17;5-3(6)1-2-4(7)8/h5-8,15-16H,3-4,9-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+