6-[[3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1H-indol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-[1-(4-ethyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-[1-(4-ethylpiperazino)-2-hydroxy-2-keto-ethyl]-1H-indol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4CC=CCC4C(=O)O)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4CC=CCC4C(=O)O)C(=O)O

InChI

InChI=1S/C24H30N4O5/c1-2-27-9-11-28(12-10-27)21(24(32)33)19-14-25-20-8-7-15(13-18(19)20)26-22(29)16-5-3-4-6-17(16)23(30)31/h3-4,7-8,13-14,16-17,21,25H,2,5-6,9-12H2,1H3,(H,26,29)(H,30,31)(H,32,33)