O5-methyl O3-(oxolan-2-ylmethyl) 4-(2-bromophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate

Systemtic Name: O5-methyl O3-(oxolan-2-ylmethyl) 4-(2-bromophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: O5-methyl O3-(tetrahydrofuran-2-ylmethyl) 4-(2-bromophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-(2-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid O5-methyl ester O3-(2-oxolanylmethyl) ester IUPAC Name: 5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(2-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(2-bromophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid O5-methyl ester O3-(tetrahydrofurfuryl) ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2Br)C(=O)OCC3CCCO3

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2Br)C(=O)OCC3CCCO3

InChI

InChI=1S/C21H22BrNO5/c1-12-17(20(24)26-3)19(15-8-4-5-9-16(15)22)18(13(2)23-12)21(25)28-11-14-7-6-10-27-14/h4-5,8-9,14H,6-7,10-11H2,1-3H3