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

Systemtic Name: O3-(2-cyanoethyl) O5-(phenylmethyl) 2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(2-cyanoethyl) 2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-ethyl-4-(4-nitrophenyl)-6-propyl-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-propyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-benzyl ester O3-(2-cyanoethyl) ester Formula: C28H29N3O6 MolecularWeight: 503.54636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C28H29N3O6/c1-3-9-23-26(28(33)37-18-19-10-6-5-7-11-19)24(20-12-14-21(15-13-20)31(34)35)25(22(4-2)30-23)27(32)36-17-8-16-29/h5-7,10-15,24,30H,3-4,8-9,17-18H2,1-2H3