ethyl 8-bromanyl-2,2-dimethyl-4-(4-methylphenyl)chromene-6-carboxylate

Systemtic Name: ethyl 8-bromanyl-2,2-dimethyl-4-(4-methylphenyl)chromene-6-carboxylate Openeye Name: ethyl 8-bromo-2,2-dimethyl-4-(p-tolyl)chromene-6-carboxylate CAS Name: 8-bromo-2,2-dimethyl-4-(4-methylphenyl)-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-2,2-dimethyl-4-(4-methylphenyl)chromene-6-carboxylate Traditional Name: 8-bromo-2,2-dimethyl-4-(p-tolyl)chromene-6-carboxylic acid ethyl ester Formula: C21H21BrO3 MolecularWeight: 401.29364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1)C(=CC(O2)(C)C)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1)C(=CC(O2)(C)C)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C21H21BrO3/c1-5-24-20(23)15-10-16-17(14-8-6-13(2)7-9-14)12-21(3,4)25-19(16)18(22)11-15/h6-12H,5H2,1-4H3