2-[carboxy-(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[carboxy-(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-carboxy-carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(N-carboxy-4-chloro-2-fluoro-5-prop-2-enoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[carboxy-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-carboxy-carbamoyl]cyclohexene-1-carboxylic acid Formula: C18H17ClFNO6 MolecularWeight: 397.782083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)F)Cl

Isomeric SMILES

C=CCOC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)F)Cl

InChI

InChI=1S/C18H17ClFNO6/c1-2-7-27-15-9-14(13(20)8-12(15)19)21(18(25)26)16(22)10-5-3-4-6-11(10)17(23)24/h2,8-9H,1,3-7H2,(H,23,24)(H,25,26)