[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25FN2O4/c1-14(2)19(26-21(27)16-6-4-3-5-7-16)23(29)30-20(22(28)25-18-12-13-18)15-8-10-17(24)11-9-15/h3-11,14,18-20H,12-13H2,1-2H3,(H,25,28)(H,26,27)/t19-,20?/m0/s1