ethyl 3-(4-bromophenyl)-7-[(2,5-dimethylphenyl)methoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)-7-[(2,5-dimethylphenyl)methoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-7-[(2,5-dimethylphenyl)methoxy]-4-oxo-chromene-2-carboxylate CAS Name: 3-(4-bromophenyl)-7-[(2,5-dimethylphenyl)methoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-7-[(2,5-dimethylphenyl)methoxy]-4-oxochromene-2-carboxylate Traditional Name: 3-(4-bromophenyl)-7-(2,5-dimethylbenzyl)oxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C27H23BrO5 MolecularWeight: 507.37252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H23BrO5/c1-4-31-27(30)26-24(18-7-9-20(28)10-8-18)25(29)22-12-11-21(14-23(22)33-26)32-15-19-13-16(2)5-6-17(19)3/h5-14H,4,15H2,1-3H3