4-[(8-ethynyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(8-ethynyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[(8-ethynyl-2,2,4,4-tetramethyl-chroman-6-yl)carbamoylamino]-2-fluoro-benzoic acid CAS Name: 4-[[[(8-ethynyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-[(8-ethynyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoylamino]-2-fluorobenzoic acid Traditional Name: 4-[(8-ethynyl-2,2,4,4-tetramethyl-chroman-6-yl)carbamoylamino]-2-fluoro-benzoic acid Formula: C23H23FN2O4 MolecularWeight: 410.438123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C1C=C(C=C2C#C)NC(=O)NC3=CC(=C(C=C3)C(=O)O)F)(C)C)C

Isomeric SMILES

CC1(CC(OC2=C1C=C(C=C2C#C)NC(=O)NC3=CC(=C(C=C3)C(=O)O)F)(C)C)C

InChI

InChI=1S/C23H23FN2O4/c1-6-13-9-15(10-17-19(13)30-23(4,5)12-22(17,2)3)26-21(29)25-14-7-8-16(20(27)28)18(24)11-14/h1,7-11H,12H2,2-5H3,(H,27,28)(H2,25,26,29)