4-[[1-(2,2-dimethylpropanoyloxy)-3-ethanoyl-2-oxidanyl-indol-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-(2,2-dimethylpropanoyloxy)-3-ethanoyl-2-oxidanyl-indol-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-acetyl-1-(2,2-dimethylpropanoyloxy)-2-hydroxy-indol-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-acetyl-1-(2,2-dimethyl-1-oxopropoxy)-2-hydroxy-6-indolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-acetyl-1-(2,2-dimethylpropanoyloxy)-2-hydroxyindol-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(3-acetyl-2-hydroxy-1-pivaloyloxy-indol-6-yl)amino]-4-keto-butyric acid Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)CCC(=O)O)OC(=O)C(C)(C)C)O

Isomeric SMILES

CC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)CCC(=O)O)OC(=O)C(C)(C)C)O

InChI

InChI=1S/C19H22N2O7/c1-10(22)16-12-6-5-11(20-14(23)7-8-15(24)25)9-13(12)21(17(16)26)28-18(27)19(2,3)4/h5-6,9,26H,7-8H2,1-4H3,(H,20,23)(H,24,25)