ethanedioic acid; 6-fluoranyl-3-(3-pyrrolidin-1-ylpropyl)-1,2-benzoxazole

Systemtic Name: ethanedioic acid; 6-fluoranyl-3-(3-pyrrolidin-1-ylpropyl)-1,2-benzoxazole Openeye Name: 6-fluoro-3-(3-pyrrolidin-1-ylpropyl)-1,2-benzoxazole; oxalic acid CAS Name: 6-fluoro-3-[3-(1-pyrrolidinyl)propyl]-1,2-benzoxazole; oxalic acid IUPAC Name: 6-fluoro-3-(3-pyrrolidin-1-ylpropyl)-1,2-benzoxazole; oxalic acid Traditional Name: 6-fluoro-3-(3-pyrrolidinopropyl)indoxazene; oxalic acid Formula: C16H19FN2O5 MolecularWeight: 338.330863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCC2=NOC3=C2C=CC(=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCCC2=NOC3=C2C=CC(=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17FN2O.C2H2O4/c15-11-5-6-12-13(16-18-14(12)10-11)4-3-9-17-7-1-2-8-17;3-1(4)2(5)6/h5-6,10H,1-4,7-9H2;(H,3,4)(H,5,6)