2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(2-phenoxypropanoyl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(2-phenoxypropanoyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(2-phenoxypropanoyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluoro-N-(1-oxo-2-phenoxypropyl)anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(2-phenoxypropanoyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(2-phenoxypropanoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C27H25ClFNO6 MolecularWeight: 513.941903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C(C)OC3=CC=CC=C3)F)Cl

Isomeric SMILES

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C(C)OC3=CC=CC=C3)F)Cl

InChI

InChI=1S/C27H25ClFNO6/c1-4-16(2)35-24-15-23(22(29)14-21(24)28)30(25(31)17(3)36-18-10-6-5-7-11-18)26(32)19-12-8-9-13-20(19)27(33)34/h1,5-7,10-11,14-17H,8-9,12-13H2,2-3H3,(H,33,34)