2-[carboxy-[4-chloranyl-3-(2-fluoranylprop-2-enoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[carboxy-[4-chloranyl-3-(2-fluoranylprop-2-enoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[carboxy-[4-chloro-3-(2-fluoroallyloxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[N-carboxy-4-chloro-3-(2-fluoroprop-2-enoxy)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[carboxy-[4-chloro-3-(2-fluoroprop-2-enoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[carboxy-[4-chloro-3-(2-fluoroallyloxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C18H17ClFNO6 MolecularWeight: 397.782083

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Descriptors Computed from Structure

Canonical SMILES:

C=C(COC1=C(C=CC(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)Cl)F

Isomeric SMILES

C=C(COC1=C(C=CC(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)Cl)F

InChI

InChI=1S/C18H17ClFNO6/c1-10(20)9-27-15-8-11(6-7-14(15)19)21(18(25)26)16(22)12-4-2-3-5-13(12)17(23)24/h6-8H,1-5,9H2,(H,23,24)(H,25,26)