[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)C

InChI

InChI=1S/C20H25N3O4/c1-11-7-8-16-14(9-11)15(10-12(2)21-16)18(25)27-13(3)17(24)22-19(26)23-20(4,5)6/h7-10,13H,1-6H3,(H2,22,23,24,26)/t13-/m0/s1