methyl (2R)-2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxy-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxy-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-(4-butyl-6-chloro-2-oxo-chromen-7-yl)oxy-2-phenyl-acetate CAS Name: (2R)-2-[(4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl)oxy]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxy-2-phenylacetate Traditional Name: (2R)-2-(4-butyl-6-chloro-2-keto-chromen-7-yl)oxy-2-phenyl-acetic acid methyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21ClO5/c1-3-4-8-15-11-20(24)27-18-13-19(17(23)12-16(15)18)28-21(22(25)26-2)14-9-6-5-7-10-14/h5-7,9-13,21H,3-4,8H2,1-2H3/t21-/m1/s1