[2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[2-[(1R)-1-methylpropyl]anilino]ethyl] ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC=C3C(C)CC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC=C3[C@H](C)CC

InChI

InChI=1S/C25H28N2O3/c1-5-16(3)18-11-7-9-13-21(18)27-23(28)15-30-25(29)24-17(4)20(6-2)26-22-14-10-8-12-19(22)24/h7-14,16H,5-6,15H2,1-4H3,(H,27,28)/t16-/m1/s1