(6-chloranyl-2H-chromen-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone Openeye Name: (6-chloro-2H-chromen-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone CAS Name: (6-chloro-2H-1-benzopyran-3-yl)-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]methanone IUPAC Name: (6-chloro-2H-chromen-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone Traditional Name: (6-chloro-2H-chromen-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidino]methanone Formula: C22H22ClNO4 MolecularWeight: 399.86738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H22ClNO4/c1-26-17-6-8-21(27-2)18(12-17)19-4-3-9-24(19)22(25)15-10-14-11-16(23)5-7-20(14)28-13-15/h5-8,10-12,19H,3-4,9,13H2,1-2H3