4-[3,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]-5-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(3-oxidanylideneprop-1-ynyl)indole-1-carboxylic acid

Systemtic Name: 4-[3,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]-5-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(3-oxidanylideneprop-1-ynyl)indole-1-carboxylic acid Openeye Name: 4-(1-tert-butoxycarbonyl-3,4-dimethyl-pyrrol-2-yl)-2-tert-butoxycarbonyloxy-5-fluoro-3-(3-oxoprop-1-ynyl)indole-1-carboxylic acid CAS Name: 4-[3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolyl]-5-fluoro-2-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3-(3-oxoprop-1-ynyl)-1-indolecarboxylic acid IUPAC Name: 4-[3,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(3-oxoprop-1-ynyl)indole-1-carboxylic acid Traditional Name: 4-(1-tert-butoxycarbonyl-3,4-dimethyl-pyrrol-2-yl)-2-tert-butoxycarbonyloxy-5-fluoro-3-(3-ketoprop-1-ynyl)indole-1-carboxylic acid Formula: C28H29FN2O8 MolecularWeight: 540.536863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C)C2=C(C=CC3=C2C(=C(N3C(=O)O)OC(=O)OC(C)(C)C)C#CC=O)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN(C(=C1C)C2=C(C=CC3=C2C(=C(N3C(=O)O)OC(=O)OC(C)(C)C)C#CC=O)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H29FN2O8/c1-15-14-30(25(35)38-27(3,4)5)22(16(15)2)21-18(29)11-12-19-20(21)17(10-9-13-32)23(31(19)24(33)34)37-26(36)39-28(6,7)8/h11-14H,1-8H3,(H,33,34)