1-methyl-3-[1-(4-methylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indole-5-carboxylic acid

Systemtic Name: 1-methyl-3-[1-(4-methylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-1-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-1-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-1-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-(4-methylpiperazino)ethyl]-1-methyl-indole-5-carboxylic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C17H21N3O4/c1-18-5-7-20(8-6-18)15(17(23)24)13-10-19(2)14-4-3-11(16(21)22)9-12(13)14/h3-4,9-10,15H,5-8H2,1-2H3,(H,21,22)(H,23,24)