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

Systemtic Name: O3,O5-diethyl O4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-diethyl O4-[2-(3-fluoroanilino)-2-oxo-ethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-[2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: 3-O,5-O-diethyl 4-O-[2-(3-fluoroanilino)-2-oxoethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-[2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C22H25FN2O7 MolecularWeight: 448.441503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O7/c1-5-30-20(27)17-12(3)24-13(4)18(21(28)31-6-2)19(17)22(29)32-11-16(26)25-15-9-7-8-14(23)10-15/h7-10,19,24H,5-6,11H2,1-4H3,(H,25,26)