4-(5,6,6a,7,8,9-hexahydro-4H-phenalen-2-ylcarbonylamino)-2-fluoranyl-benzoic acid

Systemtic Name: 4-(5,6,6a,7,8,9-hexahydro-4H-phenalen-2-ylcarbonylamino)-2-fluoranyl-benzoic acid Openeye Name: 4-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)-2-fluoro-benzoic acid CAS Name: 4-[[5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl(oxo)methyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)-2-fluorobenzoic acid Traditional Name: 4-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)-2-fluoro-benzoic acid Formula: C21H20FNO3 MolecularWeight: 353.386803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCCC3=C2C(=CC(=C3)C(=O)NC4=CC(=C(C=C4)C(=O)O)F)C1

Isomeric SMILES

C1CC2CCCC3=C2C(=CC(=C3)C(=O)NC4=CC(=C(C=C4)C(=O)O)F)C1

InChI

InChI=1S/C21H20FNO3/c22-18-11-16(7-8-17(18)21(25)26)23-20(24)15-9-13-5-1-3-12-4-2-6-14(10-15)19(12)13/h7-12H,1-6H2,(H,23,24)(H,25,26)