O3-(2-cyanoethyl) O5-(phenylmethyl) 2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-cyanoethyl) O5-(phenylmethyl) 2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(2-cyanoethyl) 2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(2-cyanoethyl) 2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amyl-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-benzyl ester O5-(2-cyanoethyl) ester Formula: C30H33N3O6 MolecularWeight: 531.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(C(=C(N1)CC)C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=C(C(C(=C(N1)CC)C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O6/c1-3-5-7-13-25-28(30(35)39-20-21-11-8-6-9-12-21)26(22-14-16-23(17-15-22)33(36)37)27(24(4-2)32-25)29(34)38-19-10-18-31/h6,8-9,11-12,14-17,26,32H,3-5,7,10,13,19-20H2,1-2H3