[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [(1S)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-13(20(27)24(4)19-8-6-5-7-9-19)29-21(28)16-10-17(22-14(2)25)12-18(11-16)23-15(3)26/h5-13H,1-4H3,(H,22,25)(H,23,26)/t13-/m0/s1