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

Systemtic Name: O3,O5-dimethyl O4-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-[2-(1-ethylpropylamino)-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 O3,O5-dimethyl ester O4-[2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: 3-O,5-O-dimethyl 4-O-[2-oxo-2-(pentan-3-ylamino)ethyl] (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-(1-ethylpropylamino)-2-keto-ethyl] ester O3,O5-dimethyl ester Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1C(C(=NC(=C1C(=O)OC)C)C)C(=O)OC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H]1C(C(=NC(=C1C(=O)OC)C)C)C(=O)OC

InChI

InChI=1S/C19H28N2O7/c1-7-12(8-2)21-13(22)9-28-19(25)16-14(17(23)26-5)10(3)20-11(4)15(16)18(24)27-6/h12,14,16H,7-9H2,1-6H3,(H,21,22)/t14?,16-/m0/s1