diethyl 4-(3-bromanyl-5-ethoxy-4-phenethyloxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-bromanyl-5-ethoxy-4-phenethyloxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-bromo-5-ethoxy-4-phenethyloxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-phenethyloxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-bromo-5-ethoxy-4-phenethyloxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-phenethyloxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C29H32BrNO6 MolecularWeight: 570.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H32BrNO6/c1-6-34-23-17-21(16-22(30)27(23)37-15-14-20-12-10-9-11-13-20)26-24(28(32)35-7-2)18(4)31-19(5)25(26)29(33)36-8-3/h9-13,16-17H,6-8,14-15H2,1-5H3