6-[4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-(3-fluoro-4-methoxy-benzoyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-(3-fluoro-4-methoxybenzoyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-(3-fluoro-4-methoxy-benzoyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H23FN2O5 MolecularWeight: 390.405423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O)F

InChI

InChI=1S/C20H23FN2O5/c1-28-17-7-6-13(12-16(17)21)18(24)22-8-10-23(11-9-22)19(25)14-4-2-3-5-15(14)20(26)27/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H,26,27)