4-[2-[[4-(acetyloxymethoxy)-4-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-ethyl]-7-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 4-[2-[[4-(acetyloxymethoxy)-4-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-ethyl]-7-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[[3-(acetoxymethoxy)-1-methyl-3-oxo-propyl]amino]-1-hydroxy-ethyl]-7-hydroxy-1H-indole-2-carboxylic acid CAS Name: 4-[2-[[4-(acetyloxymethoxy)-4-oxobutan-2-yl]amino]-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-[[4-(acetyloxymethoxy)-4-oxobutan-2-yl]amino]-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 4-[2-[[3-(acetoxymethoxy)-3-keto-1-methyl-propyl]amino]-1-hydroxy-ethyl]-7-hydroxy-1H-indole-2-carboxylic acid Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCOC(=O)C)NCC(C1=C2C=C(NC2=C(C=C1)O)C(=O)O)O

Isomeric SMILES

CC(CC(=O)OCOC(=O)C)NCC(C1=C2C=C(NC2=C(C=C1)O)C(=O)O)O

InChI

InChI=1S/C18H22N2O8/c1-9(5-16(24)28-8-27-10(2)21)19-7-15(23)11-3-4-14(22)17-12(11)6-13(20-17)18(25)26/h3-4,6,9,15,19-20,22-23H,5,7-8H2,1-2H3,(H,25,26)