2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[3,5-bis(trifluoromethyl)benzyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C16H13F6NO3 MolecularWeight: 381.269739

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C(=O)O)C(=O)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC(=C(C1)C(=O)O)C(=O)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H13F6NO3/c17-15(18,19)9-4-8(5-10(6-9)16(20,21)22)7-23-13(24)11-2-1-3-12(11)14(25)26/h4-6H,1-3,7H2,(H,23,24)(H,25,26)