dimethyl 4-(3-bromophenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-bromophenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromophenyl)-1-(tetrahydrofuran-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromophenyl)-1-(2-oxolanylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromophenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromophenyl)-1-(tetrahydrofurfuryl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Br)C(=O)OC)CC3CCCO3

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Br)C(=O)OC)CC3CCCO3

InChI

InChI=1S/C20H22BrNO5/c1-25-19(23)16-11-22(10-15-7-4-8-27-15)12-17(20(24)26-2)18(16)13-5-3-6-14(21)9-13/h3,5-6,9,11-12,15,18H,4,7-8,10H2,1-2H3