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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-phenylquinoline-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-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-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-13(2)19(20(26)25-22(23)28)29-21(27)16-12-18(14-8-4-3-5-9-14)24-17-11-7-6-10-15(16)17/h3-13,19H,1-2H3,(H3,23,25,26,28)/t19-/m1/s1