[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] N,N-dimethylcarbamate

Systemtic Name: [3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] N,N-dimethylcarbamate Openeye Name: [3-[(2-chloro-6-fluoro-phenyl)methyl]-2-oxo-4-propyl-chromen-7-yl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propylchromen-7-yl] N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid [3-(2-chloro-6-fluoro-benzyl)-2-keto-4-propyl-chromen-7-yl] ester Formula: C22H21ClFNO4 MolecularWeight: 417.857843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)N(C)C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)N(C)C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H21ClFNO4/c1-4-6-14-15-10-9-13(28-22(27)25(2)3)11-20(15)29-21(26)16(14)12-17-18(23)7-5-8-19(17)24/h5,7-11H,4,6,12H2,1-3H3