3-(2,4-dichlorophenyl)-7-methoxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(2,4-dichlorophenyl)-7-methoxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(2,4-dichlorophenyl)-7-methoxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(2,4-dichlorophenyl)-7-methoxy-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(2,4-dichlorophenyl)-7-methoxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(2,4-dichlorophenyl)-7-methoxy-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C29H27Cl2NO4 MolecularWeight: 524.43498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C29H27Cl2NO4/c1-34-22-9-11-23-25(16-19-4-7-21(8-5-19)35-15-14-32-12-2-3-13-32)28(29(33)36-27(23)18-22)24-10-6-20(30)17-26(24)31/h4-11,17-18H,2-3,12-16H2,1H3