ethanedioic acid; N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

Systemtic Name: ethanedioic acid; N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine Openeye Name: N-[(3-fluorophenyl)methyl]-1-tetrahydrofuran-2-yl-methanamine; oxalic acid CAS Name: N-[(3-fluorophenyl)methyl]-1-(2-oxolanyl)methanamine; oxalic acid IUPAC Name: N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine; oxalic acid Traditional Name: (3-fluorobenzyl)-(tetrahydrofurfuryl)amine; oxalic acid Formula: C14H18FNO5 MolecularWeight: 299.294823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNCC2=CC(=CC=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CNCC2=CC(=CC=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16FNO.C2H2O4/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12;3-1(4)2(5)6/h1,3-4,7,12,14H,2,5-6,8-9H2;(H,3,4)(H,5,6)