(3S,4R)-3-(4-fluorophenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3S,4R)-3-(4-fluorophenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-3-(4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-3-(4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-3-(4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-3-(4-fluorophenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylate Formula: C17H13FNO3- MolecularWeight: 298.288423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CN1[C@@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FNO3/c1-19-15(10-6-8-11(18)9-7-10)14(17(21)22)12-4-2-3-5-13(12)16(19)20/h2-9,14-15H,1H3,(H,21,22)/p-1/t14-,15-/m1/s1