2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-1,3-bis(oxidanylidene)pyrrolo[1,2-a]pyrazin-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-1,3-bis(oxidanylidene)pyrrolo[1,2-a]pyrazin-4-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-4-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-1,3-dioxo-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-oxomethyl]-1,3-dioxo-4-pyrrolo[1,2-a]pyrazinyl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-4-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyl-1,3-dioxopyrrolo[1,2-a]pyrazin-4-yl]acetic acid Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-4-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-1,3-diketo-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid Formula: C27H30BrFN2O6 MolecularWeight: 577.439303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(C(=O)N(C(=O)C3=CC=CN32)CC4=C(C=C(C=C4)Br)F)CC(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2(C(=O)N(C(=O)C3=CC=CN32)CC4=C(C=C(C=C4)Br)F)CC(=O)O)C(C)C

InChI

InChI=1S/C27H30BrFN2O6/c1-15(2)19-9-6-16(3)11-22(19)37-26(36)27(13-23(32)33)25(35)30(24(34)21-5-4-10-31(21)27)14-17-7-8-18(28)12-20(17)29/h4-5,7-8,10,12,15-16,19,22H,6,9,11,13-14H2,1-3H3,(H,32,33)