ethyl 3-[7-[(3-bromophenyl)methoxy]-6-chloranyl-4-methyl-2-oxidanylidene-chromen-3-yl]propanoate

Systemtic Name: ethyl 3-[7-[(3-bromophenyl)methoxy]-6-chloranyl-4-methyl-2-oxidanylidene-chromen-3-yl]propanoate Openeye Name: ethyl 3-[7-[(3-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-chromen-3-yl]propanoate CAS Name: 3-[7-[(3-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[(3-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]propanoate Traditional Name: 3-[7-(3-bromobenzyl)oxy-6-chloro-2-keto-4-methyl-chromen-3-yl]propionic acid ethyl ester Formula: C22H20BrClO5 MolecularWeight: 479.7482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC(=CC=C3)Br)Cl)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC(=CC=C3)Br)Cl)C

InChI

InChI=1S/C22H20BrClO5/c1-3-27-21(25)8-7-16-13(2)17-10-18(24)20(11-19(17)29-22(16)26)28-12-14-5-4-6-15(23)9-14/h4-6,9-11H,3,7-8,12H2,1-2H3