1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C16H19ClFNO3 MolecularWeight: 327.778363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C16H19ClFNO3/c17-12-9-11(5-6-13(12)18)19-14(20)10-16(15(21)22)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2,(H,19,20)(H,21,22)