[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC(C)C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21FN2O4/c1-13(23-19(25)16-6-4-3-5-7-16)20(26)27-14(2)18(24)22-12-15-8-10-17(21)11-9-15/h3-11,13-14H,12H2,1-2H3,(H,22,24)(H,23,25)/t13-,14?/m0/s1