2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-2-fluoro-5-propan-2-yloxy-N-(3-pyridinylmethyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C23H24ClFN2O4 MolecularWeight: 446.899063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)N(CC2=CN=CC=C2)C(=O)C3=C(CCCC3)C(=O)O)F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)N(CC2=CN=CC=C2)C(=O)C3=C(CCCC3)C(=O)O)F)Cl

InChI

InChI=1S/C23H24ClFN2O4/c1-14(2)31-21-11-20(19(25)10-18(21)24)27(13-15-6-5-9-26-12-15)22(28)16-7-3-4-8-17(16)23(29)30/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,29,30)