phenoxymethyl 2-[(E)-2-(7-chloranyl-6-fluoranyl-quinolin-2-yl)ethenyl]benzoate

Systemtic Name: phenoxymethyl 2-[(E)-2-(7-chloranyl-6-fluoranyl-quinolin-2-yl)ethenyl]benzoate Openeye Name: phenoxymethyl 2-[(E)-2-(7-chloro-6-fluoro-2-quinolyl)vinyl]benzoate CAS Name: 2-[(E)-2-(7-chloro-6-fluoro-2-quinolinyl)ethenyl]benzoic acid phenoxymethyl ester IUPAC Name: phenoxymethyl 2-[(E)-2-(7-chloro-6-fluoroquinolin-2-yl)ethenyl]benzoate Traditional Name: 2-[(E)-2-(7-chloro-6-fluoro-2-quinolyl)vinyl]benzoic acid phenoxymethyl ester Formula: C25H17ClFNO3 MolecularWeight: 433.858783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCOC(=O)C2=CC=CC=C2C=CC3=NC4=CC(=C(C=C4C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCOC(=O)C2=CC=CC=C2/C=C/C3=NC4=CC(=C(C=C4C=C3)F)Cl

InChI

InChI=1S/C25H17ClFNO3/c26-22-15-24-18(14-23(22)27)11-13-19(28-24)12-10-17-6-4-5-9-21(17)25(29)31-16-30-20-7-2-1-3-8-20/h1-15H,16H2/b12-10+