[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C19H23N3O4/c1-5-13-11(4)15(12-8-6-7-9-14(12)21-13)18(24)26-16(10(2)3)17(23)22-19(20)25/h6-10,16H,5H2,1-4H3,(H3,20,22,23,25)/t16-/m1/s1