O5-(2-cyanoethyl) O3-(2-methylpropyl) (2S,3R,4S)-2-(diethoxymethyl)-6-methyl-4-(3-nitrophenyl)-2-oxidanyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O5-(2-cyanoethyl) O3-(2-methylpropyl) (2S,3R,4S)-2-(diethoxymethyl)-6-methyl-4-(3-nitrophenyl)-2-oxidanyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O5-(2-cyanoethyl) O3-isobutyl (2S,3R,4S)-2-(diethoxymethyl)-2-hydroxy-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: (2S,3R,4S)-2-(diethoxymethyl)-2-hydroxy-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-(2-methylpropyl) ester IUPAC Name: 5-O-(2-cyanoethyl) 3-O-(2-methylpropyl) (2S,3R,4S)-2-(diethoxymethyl)-2-hydroxy-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: (2S,3R,4S)-2-(diethoxymethyl)-2-hydroxy-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-isobutyl ester Formula: C26H35N3O9 MolecularWeight: 533.5708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1(C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)C)O)OCC

Isomeric SMILES

CCOC([C@]1([C@@H]([C@H](C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)C)O)OCC

InChI

InChI=1S/C26H35N3O9/c1-6-35-25(36-7-2)26(32)22(24(31)38-15-16(3)4)21(18-10-8-11-19(14-18)29(33)34)20(17(5)28-26)23(30)37-13-9-12-27/h8,10-11,14,16,21-22,25,28,32H,6-7,9,13,15H2,1-5H3/t21-,22-,26-/m0/s1