O3-butyl O5-ethyl 2-(4-bromophenyl)carbonyl-6-butoxy-pyridine-3,5-dicarboxylate

Systemtic Name: O3-butyl O5-ethyl 2-(4-bromophenyl)carbonyl-6-butoxy-pyridine-3,5-dicarboxylate Openeye Name: O3-butyl O5-ethyl 2-(4-bromobenzoyl)-6-butoxy-pyridine-3,5-dicarboxylate CAS Name: 2-[(4-bromophenyl)-oxomethyl]-6-butoxypyridine-3,5-dicarboxylic acid O3-butyl ester O5-ethyl ester IUPAC Name: 3-O-butyl 5-O-ethyl 2-(4-bromobenzoyl)-6-butoxypyridine-3,5-dicarboxylate Traditional Name: 2-(4-bromobenzoyl)-6-butoxy-pyridine-3,5-dicarboxylic acid O3-butyl ester O5-ethyl ester Formula: C24H28BrNO6 MolecularWeight: 506.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=N1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCCCC)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C(=N1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCCCC)C(=O)OCC

InChI

InChI=1S/C24H28BrNO6/c1-4-7-13-31-22-19(24(29)30-6-3)15-18(23(28)32-14-8-5-2)20(26-22)21(27)16-9-11-17(25)12-10-16/h9-12,15H,4-8,13-14H2,1-3H3