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

Systemtic Name: O4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] O3,O5-dimethyl (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-[2-(4-fluoroanilino)-2-oxo-ethyl] O3,O5-dimethyl (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(4-fluoroanilino)-2-oxoethyl] ester O3,O5-dimethyl ester IUPAC Name: 4-O-[2-(4-fluoroanilino)-2-oxoethyl] 3-O,5-O-dimethyl (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(4-fluoroanilino)-2-keto-ethyl] ester O3,O5-dimethyl ester Formula: C20H21FN2O7 MolecularWeight: 420.388343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)F)C(=O)OC)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)F)C(=O)OC)C

InChI

InChI=1S/C20H21FN2O7/c1-10-15(18(25)28-3)17(16(11(2)22-10)19(26)29-4)20(27)30-9-14(24)23-13-7-5-12(21)6-8-13/h5-8,15,17H,9H2,1-4H3,(H,23,24)/t15?,17-/m0/s1