[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C24H25N3O4/c1-13(2)21(22(28)27-24(25)30)31-23(29)18-12-20(16-10-9-14(3)11-15(16)4)26-19-8-6-5-7-17(18)19/h5-13,21H,1-4H3,(H3,25,27,28,30)/t21-/m0/s1