3-(2,4-dichlorophenyl)-6-methyl-7-oxidanyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(2,4-dichlorophenyl)-6-methyl-7-oxidanyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(2,4-dichlorophenyl)-7-hydroxy-6-methyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(2,4-dichlorophenyl)-7-hydroxy-6-methyl-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(2,4-dichlorophenyl)-7-hydroxy-6-methyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(2,4-dichlorophenyl)-7-hydroxy-6-methyl-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C29H27Cl2NO4 MolecularWeight: 524.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)OCCN5CCCC5)O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)OCCN5CCCC5)O

InChI

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