[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1S)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H17FN2O4 MolecularWeight: 368.358383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H17FN2O4/c1-12(18(24)22-11-13-6-8-15(21)9-7-13)27-20(26)17-10-14-4-2-3-5-16(14)19(25)23-17/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1