[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C25H22N2O4/c1-16(18-9-4-3-5-10-18)26-24(28)17(2)31-25(29)20-15-22(23-13-8-14-30-23)27-21-12-7-6-11-19(20)21/h3-17H,1-2H3,(H,26,28)/t16-,17+/m1/s1