cyclohexyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: cyclohexyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: cyclohexyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid cyclohexyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-16-22(19-9-7-13-26-15-19)24(18-8-6-10-20(14-18)28(30)31)23(17(2)27-16)25(29)32-21-11-4-3-5-12-21/h6-10,13-15,21,24,27H,3-5,11-12H2,1-2H3