dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CCCC3)C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CCCC3)C(=O)OC)Br)O

InChI

InChI=1S/C22H26BrNO6/c1-4-30-18-10-13(9-17(23)20(18)25)19-15(21(26)28-2)11-24(14-7-5-6-8-14)12-16(19)22(27)29-3/h9-12,14,19,25H,4-8H2,1-3H3