O3,O5-dimethyl O4-phenacyl (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-dimethyl O4-phenacyl (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-dimethyl O4-phenacyl (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 O3,O5-dimethyl ester O4-phenacyl ester IUPAC Name: 3-O,5-O-dimethyl 4-O-phenacyl (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 O3,O5-dimethyl ester O4-phenacyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-11-15(18(23)26-3)17(16(12(2)21-11)19(24)27-4)20(25)28-10-14(22)13-8-6-5-7-9-13/h5-9,15,17H,10H2,1-4H3/t15?,17-/m0/s1