[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C24H20N2O4/c1-15-7-5-8-17(13-15)25-23(27)16(2)30-24(28)19-14-21(22-11-6-12-29-22)26-20-10-4-3-9-18(19)20/h3-14,16H,1-2H3,(H,25,27)/t16-/m0/s1