(1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-oxidanylidene-3-[3,3,3-tris(fluoranyl)propoxy]prop-1-ynyl]cyclopropane-1-carboxylic acid

Systemtic Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-oxidanylidene-3-[3,3,3-tris(fluoranyl)propoxy]prop-1-ynyl]cyclopropane-1-carboxylic acid Openeye Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-oxo-3-(3,3,3-trifluoropropoxy)prop-1-ynyl]cyclopropanecarboxylic acid CAS Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-oxo-3-(3,3,3-trifluoropropoxy)prop-1-ynyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-oxo-3-(3,3,3-trifluoropropoxy)prop-1-ynyl]cyclopropane-1-carboxylic acid Traditional Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-keto-3-(3,3,3-trifluoropropoxy)prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C26H22F3NO5 MolecularWeight: 485.45179

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)C#CC(=O)OCCC(F)(F)F)C

Isomeric SMILES

CC1([C@@H]([C@]1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)C#CC(=O)OCCC(F)(F)F)C

InChI

InChI=1S/C26H22F3NO5/c1-24(2)21(11-12-22(31)34-14-13-25(27,28)29)26(24,23(32)33)20(16-30)17-7-6-10-19(15-17)35-18-8-4-3-5-9-18/h3-10,15,20-21H,13-14H2,1-2H3,(H,32,33)/t20?,21-,26+/m0/s1