(3-fluoranyl-4-methoxy-phenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H16ClFO4 MolecularWeight: 350.768643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFO4/c1-22-17-4-2-11(6-15(17)20)9-24-18(21)13-7-12-8-14(19)3-5-16(12)23-10-13/h2-6,8,13H,7,9-10H2,1H3/t13-/m0/s1