1-(2-fluoranyl-3-phenoxy-phenyl)prop-2-ynyl 2,2-dimethyl-3-[(E)-prop-2-ynoxyiminomethyl]cyclopropane-1-carboxylate

Systemtic Name: 1-(2-fluoranyl-3-phenoxy-phenyl)prop-2-ynyl 2,2-dimethyl-3-[(E)-prop-2-ynoxyiminomethyl]cyclopropane-1-carboxylate Openeye Name: 1-(2-fluoro-3-phenoxy-phenyl)prop-2-ynyl 2,2-dimethyl-3-[(E)-prop-2-ynoxyiminomethyl]cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-[(E)-prop-2-ynoxyiminomethyl]-1-cyclopropanecarboxylic acid 1-(2-fluoro-3-phenoxyphenyl)prop-2-ynyl ester IUPAC Name: 1-(2-fluoro-3-phenoxyphenyl)prop-2-ynyl 2,2-dimethyl-3-[(E)-prop-2-ynoxyiminomethyl]cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-[(E)-propargyloximinomethyl]cyclopropanecarboxylic acid 1-(2-fluoro-3-phenoxy-phenyl)prop-2-ynyl ester Formula: C25H22FNO4 MolecularWeight: 419.444883

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OC(C#C)C2=C(C(=CC=C2)OC3=CC=CC=C3)F)C=NOCC#C)C

Isomeric SMILES

CC1(C(C1C(=O)OC(C#C)C2=C(C(=CC=C2)OC3=CC=CC=C3)F)/C=N/OCC#C)C

InChI

InChI=1S/C25H22FNO4/c1-5-15-29-27-16-19-22(25(19,3)4)24(28)31-20(6-2)18-13-10-14-21(23(18)26)30-17-11-8-7-9-12-17/h1-2,7-14,16,19-20,22H,15H2,3-4H3/b27-16+