O3,O5-dimethyl O4-[(1S)-2-oxidanylidene-1-phenyl-propyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-dimethyl O4-[(1S)-2-oxidanylidene-1-phenyl-propyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-dimethyl O4-[(1S)-2-oxo-1-phenyl-propyl] 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-dimethyl ester O4-[(1S)-2-oxo-1-phenylpropyl] ester IUPAC Name: 3-O,5-O-dimethyl 4-O-[(1S)-2-oxo-1-phenylpropyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[(1S)-2-keto-1-phenyl-propyl] ester O3,O5-dimethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OC(C2=CC=CC=C2)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)C)C(=O)OC

InChI

InChI=1S/C21H23NO7/c1-11-15(19(24)27-4)17(16(12(2)22-11)20(25)28-5)21(26)29-18(13(3)23)14-9-7-6-8-10-14/h6-10,17-18,22H,1-5H3/t18-/m1/s1