ethyl 3-(4-bromophenyl)-7-(3-cyclopentylpropanoyloxy)-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)-7-(3-cyclopentylpropanoyloxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-7-(3-cyclopentylpropanoyloxy)-4-oxo-chromene-2-carboxylate CAS Name: 3-(4-bromophenyl)-7-(3-cyclopentyl-1-oxopropoxy)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-7-(3-cyclopentylpropanoyloxy)-4-oxochromene-2-carboxylate Traditional Name: 3-(4-bromophenyl)-7-(3-cyclopentylpropanoyloxy)-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C26H25BrO6 MolecularWeight: 513.3771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCC3CCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCC3CCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrO6/c1-2-31-26(30)25-23(17-8-10-18(27)11-9-17)24(29)20-13-12-19(15-21(20)33-25)32-22(28)14-7-16-5-3-4-6-16/h8-13,15-16H,2-7,14H2,1H3