2-[4-(4-fluorophenyl)-2-propan-2-yl-quinolin-3-yl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)-2-propan-2-yl-quinolin-3-yl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: 2-[4-(4-fluorophenyl)-2-isopropyl-3-quinolyl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: 2-[4-(4-fluorophenyl)-2-propan-2-yl-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: 2-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: 2-[4-(4-fluorophenyl)-2-isopropyl-3-quinolyl]-3,5-dihydroxy-hept-6-enoic acid Formula: C25H26FNO4 MolecularWeight: 423.476643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1C(C(CC(C=C)O)O)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1C(C(CC(C=C)O)O)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FNO4/c1-4-17(28)13-20(29)22(25(30)31)23-21(15-9-11-16(26)12-10-15)18-7-5-6-8-19(18)27-24(23)14(2)3/h4-12,14,17,20,22,28-29H,1,13H2,2-3H3,(H,30,31)