[3-[2,4-bis(chloranyl)phenoxy]-4-oxidanylidene-chromen-7-yl] (2R)-2-azanyl-3-methyl-pentanoate

Systemtic Name: [3-[2,4-bis(chloranyl)phenoxy]-4-oxidanylidene-chromen-7-yl] (2R)-2-azanyl-3-methyl-pentanoate Openeye Name: [3-(2,4-dichlorophenoxy)-4-oxo-chromen-7-yl] (2R)-2-amino-3-methyl-pentanoate CAS Name: (2R)-2-amino-3-methylpentanoic acid [3-(2,4-dichlorophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,4-dichlorophenoxy)-4-oxochromen-7-yl] (2R)-2-amino-3-methylpentanoate Traditional Name: (2R)-2-amino-3-methyl-valeric acid [3-(2,4-dichlorophenoxy)-4-keto-chromen-7-yl] ester Formula: C21H19Cl2NO5 MolecularWeight: 436.28526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=C(C=C(C=C3)Cl)Cl)N

Isomeric SMILES

CCC(C)[C@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=C(C=C(C=C3)Cl)Cl)N

InChI

InChI=1S/C21H19Cl2NO5/c1-3-11(2)19(24)21(26)28-13-5-6-14-17(9-13)27-10-18(20(14)25)29-16-7-4-12(22)8-15(16)23/h4-11,19H,3,24H2,1-2H3/t11?,19-/m1/s1