[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C25H21NO5/c1-3-29-18-12-10-17(11-13-18)24(27)16(2)31-25(28)20-15-22(23-9-6-14-30-23)26-21-8-5-4-7-19(20)21/h4-16H,3H2,1-2H3/t16-/m0/s1