[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,4-difluoroanilino)-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-(2,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-difluoroanilino)-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-(2,4-difluoroanilino)-2-keto-ethyl] ester Formula: C21H18F2N2O3 MolecularWeight: 384.376026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H18F2N2O3/c1-12(2)19-10-15(14-5-3-4-6-17(14)24-19)21(27)28-11-20(26)25-18-8-7-13(22)9-16(18)23/h3-10,12H,11H2,1-2H3,(H,25,26)