[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] (3S)-3-acetamido-3-phenyl-propanoate CAS Name: (3S)-3-acetamido-3-phenylpropanoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate Traditional Name: (3S)-3-acetamido-3-phenyl-propionic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NCC1=CC=CC=C1F)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)OCC(=O)NCC1=CC=CC=C1F)C2=CC=CC=C2

InChI

InChI=1S/C20H21FN2O4/c1-14(24)23-18(15-7-3-2-4-8-15)11-20(26)27-13-19(25)22-12-16-9-5-6-10-17(16)21/h2-10,18H,11-13H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1