ethanedioic acid; 2-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: ethanedioic acid; 2-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: 2-[[(4-fluorophenyl)methylamino]methyl]chroman-7-ol; oxalic acid CAS Name: 2-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[[(4-fluorobenzyl)amino]methyl]chroman-7-ol; oxalic acid Formula: C19H20FNO6 MolecularWeight: 377.363603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)OC1CNCC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18FNO2.C2H2O4/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16;3-1(4)2(5)6/h1-3,5-7,9,16,19-20H,4,8,10-11H2;(H,3,4)(H,5,6)