[3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-2-methyl-4-oxo-chromen-7-yl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [3-(2-chloro-6-fluoro-phenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C23H18ClFO4 MolecularWeight: 412.838023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCC=CC3)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@H]3CCC=CC3)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H18ClFO4/c1-13-20(21-17(24)8-5-9-18(21)25)22(26)16-11-10-15(12-19(16)28-13)29-23(27)14-6-3-2-4-7-14/h2-3,5,8-12,14H,4,6-7H2,1H3/t14-/m1/s1