5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluoranyl-benzoic acid Openeye Name: 5-(chroman-4-ylamino)-2-fluoro-benzoic acid CAS Name: 5-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-fluorobenzoic acid IUPAC Name: 5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzoic acid Traditional Name: 5-(chroman-4-ylamino)-2-fluoro-benzoic acid Formula: C16H14FNO3 MolecularWeight: 287.285663

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2C1NC3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H14FNO3/c17-13-6-5-10(9-12(13)16(19)20)18-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9,14,18H,7-8H2,(H,19,20)