[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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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(=O)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-4-11-22-20(24)14(3)27-21(25)16-12-18(19-10-9-13(2)26-19)23-17-8-6-5-7-15(16)17/h4-10,12,14H,1,11H2,2-3H3,(H,22,24)/t14-/m1/s1