(3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-(3-pyridinyl)-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4S)-2-(4-fluorobenzyl)-1-keto-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C22H16FN2O3- MolecularWeight: 375.372443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)F)C4=CN=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@@H](N(C2=O)CC3=CC=C(C=C3)F)C4=CN=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H17FN2O3/c23-16-9-7-14(8-10-16)13-25-20(15-4-3-11-24-12-15)19(22(27)28)17-5-1-2-6-18(17)21(25)26/h1-12,19-20H,13H2,(H,27,28)/p-1/t19-,20-/m0/s1