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1-azanyl-3,4-bis(3-fluorophenyl)butan-2-ol; (E)-but-2-enedioic acid

1-azanyl-3,4-bis(3-fluorophenyl)butan-2-ol; (E)-but-2-enedioic acid

Systemtic Name:1-azanyl-3,4-bis(3-fluorophenyl)butan-2-ol; (E)-but-2-enedioic acid
Openeye Name:1-amino-3,4-bis(3-fluorophenyl)butan-2-ol; fumaric acid
CAS Name:1-amino-3,4-bis(3-fluorophenyl)-2-butanol; (E)-2-butenedioic acid
IUPAC Name:1-amino-3,4-bis(3-fluorophenyl)butan-2-ol; (E)-but-2-enedioic acid
Traditional Name:1-amino-3,4-bis(3-fluorophenyl)butan-2-ol; fumaric acid
Formula: C20H21F2NO5
MolecularWeight: 393.381246
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CC(C2=CC(=CC=C2)F)C(CN)O.C(=CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)F)CC(C2=CC(=CC=C2)F)C(CN)O.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C16H17F2NO.C4H4O4/c17-13-5-1-3-11(7-13)8-15(16(20)10-19)12-4-2-6-14(18)9-12;5-3(6)1-2-4(7)8/h1-7,9,15-16,20H,8,10,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+


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