3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-(4-acetyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-(4-acetylpiperazino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C18H21N3O5/c1-11(22)20-5-7-21(8-6-20)16(18(25)26)14-10-19(2)15-9-12(17(23)24)3-4-13(14)15/h3-4,9-10,16H,5-8H2,1-2H3,(H,23,24)(H,25,26)