[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] (3S)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C24H17ClFNO5 MolecularWeight: 453.846883

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](OC(=O)C2=C1C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H17ClFNO5/c25-19-12-17(26)7-9-20(19)27-22(28)13-31-23(29)15-6-8-18-16(10-15)11-21(32-24(18)30)14-4-2-1-3-5-14/h1-10,12,21H,11,13H2,(H,27,28)/t21-/m0/s1