2-[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxycarbonyloxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxycarbonyloxyethanoic acid Openeye Name: 2-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]carbonyloxyacetic acid CAS Name: 2-[[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-[[oxo(2-quinoxalinyl)methyl]amino]nonan-2-yl]oxy-oxomethoxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl]oxycarbonyloxyacetic acid Traditional Name: 2-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]carbonyloxyacetic acid Formula: C29H33FN4O8 MolecularWeight: 584.592723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)OC(=O)OCC(=O)O

Isomeric SMILES

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)OC(=O)OCC(=O)O

InChI

InChI=1S/C29H33FN4O8/c1-29(2,42-28(40)41-16-25(36)37)11-10-18(26(31)38)14-24(35)22(13-17-6-5-7-19(30)12-17)34-27(39)23-15-32-20-8-3-4-9-21(20)33-23/h3-9,12,15,18,22,24,35H,10-11,13-14,16H2,1-2H3,(H2,31,38)(H,34,39)(H,36,37)