O4-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] O3,O5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O4-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] O3,O5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-[2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] O3,O5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester O3,O5-diethyl ester IUPAC Name: 4-O-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-O,5-O-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester O3,O5-diethyl ester Formula: C22H24ClFN2O7 MolecularWeight: 482.886563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)C(=O)OCC)C)C

InChI

InChI=1S/C22H24ClFN2O7/c1-5-31-20(28)17-11(3)25-12(4)18(21(29)32-6-2)19(17)22(30)33-10-16(27)26-15-8-7-13(23)9-14(15)24/h7-9,19,25H,5-6,10H2,1-4H3,(H,26,27)