5-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-5-[(2-chloro-6-fluoro-phenyl)methoxy]-4,7-dimethyl-chromen-2-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-5-[(2-chloro-6-fluorophenyl)methoxy]-4,7-dimethylchromen-2-one Traditional Name: 3-benzyl-5-(2-chloro-6-fluoro-benzyl)oxy-4,7-dimethyl-coumarin Formula: C25H20ClFO3 MolecularWeight: 422.875903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H20ClFO3/c1-15-11-22(29-14-19-20(26)9-6-10-21(19)27)24-16(2)18(25(28)30-23(24)12-15)13-17-7-4-3-5-8-17/h3-12H,13-14H2,1-2H3