[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-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-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C21H21N3O5/c1-11(2)18(19(25)24-21(22)27)29-20(26)14-10-16(17-9-8-12(3)28-17)23-15-7-5-4-6-13(14)15/h4-11,18H,1-3H3,(H3,22,24,25,27)/t18-/m1/s1