4-(4-fluorophenyl)-3,3-bis(oxidanyl)-2-phosphoroso-2-propan-2-yl-4-quinolin-3-yl-hex-5-ynoic acid

Systemtic Name: 4-(4-fluorophenyl)-3,3-bis(oxidanyl)-2-phosphoroso-2-propan-2-yl-4-quinolin-3-yl-hex-5-ynoic acid Openeye Name: 4-(4-fluorophenyl)-3,3-dihydroxy-2-isopropyl-2-phosphoroso-4-(3-quinolyl)hex-5-ynoic acid CAS Name: 4-(4-fluorophenyl)-3,3-dihydroxy-2-phosphoroso-2-propan-2-yl-4-(3-quinolinyl)-5-hexynoic acid IUPAC Name: 4-(4-fluorophenyl)-3,3-dihydroxy-2-phosphoroso-2-propan-2-yl-4-quinolin-3-ylhex-5-ynoic acid Traditional Name: 4-(4-fluorophenyl)-3,3-dihydroxy-2-isopropyl-2-phosphoroso-4-(3-quinolyl)hex-5-ynoic acid Formula: C24H21FNO5P MolecularWeight: 453.399404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)(C(C(C#C)(C1=CC=C(C=C1)F)C2=CC3=CC=CC=C3N=C2)(O)O)P=O

Isomeric SMILES

CC(C)C(C(=O)O)(C(C(C#C)(C1=CC=C(C=C1)F)C2=CC3=CC=CC=C3N=C2)(O)O)P=O

InChI

InChI=1S/C24H21FNO5P/c1-4-22(17-9-11-19(25)12-10-17,18-13-16-7-5-6-8-20(16)26-14-18)24(29,30)23(32-31,15(2)3)21(27)28/h1,5-15,29-30H,2-3H3,(H,27,28)