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

Systemtic Name: 4-(4-fluorophenyl)-3-methoxy-3-oxidanyl-2-phosphoroso-2-propan-2-yl-4-quinolin-3-yl-hex-5-ynoic acid Openeye Name: 4-(4-fluorophenyl)-3-hydroxy-2-isopropyl-3-methoxy-2-phosphoroso-4-(3-quinolyl)hex-5-ynoic acid CAS Name: 4-(4-fluorophenyl)-3-hydroxy-3-methoxy-2-phosphoroso-2-propan-2-yl-4-(3-quinolinyl)-5-hexynoic acid IUPAC Name: 4-(4-fluorophenyl)-3-hydroxy-3-methoxy-2-phosphoroso-2-propan-2-yl-4-quinolin-3-ylhex-5-ynoic acid Traditional Name: 4-(4-fluorophenyl)-3-hydroxy-2-isopropyl-3-methoxy-2-phosphoroso-4-(3-quinolyl)hex-5-ynoic acid Formula: C25H23FNO5P MolecularWeight: 467.425984

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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)OC)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)OC)P=O

InChI

InChI=1S/C25H23FNO5P/c1-5-23(18-10-12-20(26)13-11-18,19-14-17-8-6-7-9-21(17)27-15-19)25(30,32-4)24(33-31,16(2)3)22(28)29/h1,6-16,30H,2-4H3,(H,28,29)