[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H16ClFO5 MolecularWeight: 378.778743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2)F

InChI

InChI=1S/C19H16ClFO5/c1-24-18-4-2-11(8-15(18)21)16(22)10-26-19(23)13-6-12-7-14(20)3-5-17(12)25-9-13/h2-5,7-8,13H,6,9-10H2,1H3/t13-/m0/s1