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

Systemtic Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxidanylidene-3-pyridin-4-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-(4-pyridyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-pyridin-4-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4S)-2-[(4-fluorophenyl)methyl]-1-oxo-3-pyridin-4-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4S)-2-(4-fluorobenzyl)-1-keto-3-(4-pyridyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H17FN2O3 MolecularWeight: 376.380383

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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=CC=NC=C4)C(=O)O

Isomeric SMILES

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

InChI

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