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

Systemtic Name: 3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-(4-ethyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-(4-ethylpiperazino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C18H23N3O4/c1-3-20-6-8-21(9-7-20)16(18(24)25)14-11-19(2)15-5-4-12(17(22)23)10-13(14)15/h4-5,10-11,16H,3,6-9H2,1-2H3,(H,22,23)(H,24,25)