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

Systemtic Name: O4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] O3,O5-dimethyl (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-[2-[2-cyanoethyl(methyl)amino]-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-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester O3,O5-dimethyl ester IUPAC Name: 4-O-[2-[2-cyanoethyl(methyl)amino]-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-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester O3,O5-dimethyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C(=O)OCC(=O)N(C)CCC#N)C(=O)OC)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC)C(=O)OCC(=O)N(C)CCC#N)C(=O)OC)C

InChI

InChI=1S/C18H23N3O7/c1-10-13(16(23)26-4)15(14(11(2)20-10)17(24)27-5)18(25)28-9-12(22)21(3)8-6-7-19/h13,15H,6,8-9H2,1-5H3/t13?,15-/m0/s1