3-methylbutyl 6-bromanyl-2-oxidanylidene-4-phenyl-3,4-dihydrochromene-3-carboxylate

Systemtic Name: 3-methylbutyl 6-bromanyl-2-oxidanylidene-4-phenyl-3,4-dihydrochromene-3-carboxylate Openeye Name: isopentyl 6-bromo-2-oxo-4-phenyl-chromane-3-carboxylate CAS Name: 6-bromo-2-oxo-4-phenyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-bromo-2-oxo-4-phenyl-3,4-dihydrochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-4-phenyl-chroman-3-carboxylic acid isoamyl ester Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C1C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrO4/c1-13(2)10-11-25-20(23)19-18(14-6-4-3-5-7-14)16-12-15(22)8-9-17(16)26-21(19)24/h3-9,12-13,18-19H,10-11H2,1-2H3