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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-5-[(2-chloro-4-fluoro-phenyl)methoxy]-4,7-dimethyl-chromen-2-one CAS Name: 5-[(2-chloro-4-fluorophenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-5-[(2-chloro-4-fluorophenyl)methoxy]-4,7-dimethylchromen-2-one Traditional Name: 3-benzyl-5-(2-chloro-4-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=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=C(C=C(C=C4)F)Cl

InChI

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