3-(4-chlorophenyl)-7-fluoranyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-fluoranyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-fluoro-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-fluoro-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-fluoro-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-fluoro-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C28H25ClFNO3 MolecularWeight: 477.954403

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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)F)C5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClFNO3/c29-21-7-5-20(6-8-21)27-25(24-12-9-22(30)18-26(24)34-28(27)32)17-19-3-10-23(11-4-19)33-16-15-31-13-1-2-14-31/h3-12,18H,1-2,13-17H2