pyridin-3-yl 4-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-pyridine-3-carboxylate

Systemtic Name: pyridin-3-yl 4-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-pyridine-3-carboxylate Openeye Name: 3-pyridyl 1-allyl-4-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 4-[4-(1-imidazolylmethyl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-3-pyridinecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enylpyridine-3-carboxylate Traditional Name: 1-allyl-4-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 3-pyridyl ester Formula: C32H29N5O4 MolecularWeight: 547.60376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1CC=C)C)C(=O)OC2=CN=CC=C2)(C3=CC=C(C=C3)CN4C=CN=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C(=C(N1CC=C)C)C(=O)OC2=CN=CC=C2)(C3=CC=C(C=C3)CN4C=CN=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H29N5O4/c1-4-16-36-23(2)19-32(27-7-5-8-28(18-27)37(39)40,26-12-10-25(11-13-26)21-35-17-15-34-22-35)30(24(36)3)31(38)41-29-9-6-14-33-20-29/h4-15,17-20,22H,1,16,21H2,2-3H3