ethyl (2S)-2-[3-(4-bromophenyl)-4-methyl-2-oxidanylidene-chromen-6-yl]oxypropanoate

Systemtic Name: ethyl (2S)-2-[3-(4-bromophenyl)-4-methyl-2-oxidanylidene-chromen-6-yl]oxypropanoate Openeye Name: ethyl (2S)-2-[3-(4-bromophenyl)-4-methyl-2-oxo-chromen-6-yl]oxypropanoate CAS Name: (2S)-2-[[3-(4-bromophenyl)-4-methyl-2-oxo-1-benzopyran-6-yl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(4-bromophenyl)-4-methyl-2-oxochromen-6-yl]oxypropanoate Traditional Name: (2S)-2-[3-(4-bromophenyl)-2-keto-4-methyl-chromen-6-yl]oxypropionic acid ethyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC2=C(C=C1)OC(=O)C(=C2C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=CC2=C(C=C1)OC(=O)C(=C2C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrO5/c1-4-25-20(23)13(3)26-16-9-10-18-17(11-16)12(2)19(21(24)27-18)14-5-7-15(22)8-6-14/h5-11,13H,4H2,1-3H3/t13-/m0/s1