[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H23N3O5/c1-14(19(26)24-17-9-5-7-15(11-17)13-23)29-20(27)16-8-6-10-18(12-16)25-21(28)30-22(2,3)4/h5-12,14H,1-4H3,(H,24,26)(H,25,28)/t14-/m1/s1