3-(4-chloranyl-2-iodanyl-phenyl)-7-oxidanyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(4-chloranyl-2-iodanyl-phenyl)-7-oxidanyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chloro-2-iodo-phenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(4-chloro-2-iodophenyl)-7-hydroxy-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chloro-2-iodophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-chloro-2-iodo-phenyl)-7-hydroxy-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C28H25ClINO4 MolecularWeight: 601.85987

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)O)C5=C(C=C(C=C5)Cl)I

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)O)C5=C(C=C(C=C5)Cl)I

InChI

InChI=1S/C28H25ClINO4/c29-19-5-9-23(25(30)16-19)27-24(22-10-6-20(32)17-26(22)35-28(27)33)15-18-3-7-21(8-4-18)34-14-13-31-11-1-2-12-31/h3-10,16-17,32H,1-2,11-15H2