4-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-8-cyclopentyloxy-7-methoxy-chromen-2-one

Systemtic Name: 4-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-8-cyclopentyloxy-7-methoxy-chromen-2-one Openeye Name: 4-[2-chloro-6-(trifluoromethyl)anilino]-8-(cyclopentoxy)-7-methoxy-chromen-2-one CAS Name: 4-[2-chloro-6-(trifluoromethyl)anilino]-8-cyclopentyloxy-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[2-chloro-6-(trifluoromethyl)anilino]-8-cyclopentyloxy-7-methoxychromen-2-one Traditional Name: 4-[2-chloro-6-(trifluoromethyl)anilino]-8-(cyclopentoxy)-7-methoxy-coumarin Formula: C22H19ClF3NO4 MolecularWeight: 453.83877

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=CC=C3Cl)C(F)(F)F)OC4CCCC4

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=CC=C3Cl)C(F)(F)F)OC4CCCC4

InChI

InChI=1S/C22H19ClF3NO4/c1-29-17-10-9-13-16(27-19-14(22(24,25)26)7-4-8-15(19)23)11-18(28)31-20(13)21(17)30-12-5-2-3-6-12/h4,7-12,27H,2-3,5-6H2,1H3