4-fluoranyl-2-[(3S,4R)-4-oxidanyl-3-phenethyl-3,4-dihydro-2H-chromen-7-yl]benzoic acid

Systemtic Name: 4-fluoranyl-2-[(3S,4R)-4-oxidanyl-3-phenethyl-3,4-dihydro-2H-chromen-7-yl]benzoic acid Openeye Name: 4-fluoro-2-[(3S,4R)-4-hydroxy-3-phenethyl-chroman-7-yl]benzoic acid CAS Name: 4-fluoro-2-[(3S,4R)-4-hydroxy-3-phenethyl-3,4-dihydro-2H-1-benzopyran-7-yl]benzoic acid IUPAC Name: 4-fluoro-2-[(3S,4R)-4-hydroxy-3-phenethyl-3,4-dihydro-2H-chromen-7-yl]benzoic acid Traditional Name: 4-fluoro-2-[(3S,4R)-4-hydroxy-3-phenethyl-chroman-7-yl]benzoic acid Formula: C24H21FO4 MolecularWeight: 392.419543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)F)C(=O)O)O)CCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)F)C(=O)O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H21FO4/c25-18-9-11-19(24(27)28)21(13-18)16-8-10-20-22(12-16)29-14-17(23(20)26)7-6-15-4-2-1-3-5-15/h1-5,8-13,17,23,26H,6-7,14H2,(H,27,28)/t17-,23+/m0/s1