[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl] ester Formula: C26H25FN2O4 MolecularWeight: 448.486103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C26H25FN2O4/c1-18-12-13-20(14-22(18)27)16-28-24(30)17-33-26(32)23(15-19-8-4-2-5-9-19)29-25(31)21-10-6-3-7-11-21/h2-14,23H,15-17H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1