3-(2,4-dichlorophenyl)-8-ethanoyl-7-oxidanyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethanoyl-7-oxidanyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 8-acetyl-3-(2,4-dichlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 8-acetyl-3-(2,4-dichlorophenyl)-7-hydroxy-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 8-acetyl-3-(2,4-dichlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 8-acetyl-3-(2,4-dichlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C30H27Cl2NO5 MolecularWeight: 552.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC2=C1OC(=O)C(=C2CC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=C(C=C5)Cl)Cl)O

Isomeric SMILES

CC(=O)C1=C(C=CC2=C1OC(=O)C(=C2CC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=C(C=C5)Cl)Cl)O

InChI

InChI=1S/C30H27Cl2NO5/c1-18(34)27-26(35)11-10-22-24(28(30(36)38-29(22)27)23-9-6-20(31)17-25(23)32)16-19-4-7-21(8-5-19)37-15-14-33-12-2-3-13-33/h4-11,17,35H,2-3,12-16H2,1H3