3-(4-fluorophenyl)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-fluorophenyl)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-fluorophenyl)-7-hydroxy-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(4-fluorophenyl)-7-hydroxy-4-[[4-[2-(1-imidazolyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-fluorophenyl)-7-hydroxy-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-fluorophenyl)-7-hydroxy-4-[4-(2-imidazol-1-ylethoxy)benzyl]coumarin Formula: C27H21FN2O4 MolecularWeight: 456.465043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C(=O)OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)F)OCCN5C=CN=C5

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C(=O)OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)F)OCCN5C=CN=C5

InChI

InChI=1S/C27H21FN2O4/c28-20-5-3-19(4-6-20)26-24(23-10-7-21(31)16-25(23)34-27(26)32)15-18-1-8-22(9-2-18)33-14-13-30-12-11-29-17-30/h1-12,16-17,31H,13-15H2