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

Systemtic Name: 1-methyl-3-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indole-5-carboxylic acid Openeye Name: 3-[1-(4-tert-butoxycarbonylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-(4-tert-butoxycarbonylpiperazino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-21(2,3)30-20(29)24-9-7-23(8-10-24)17(19(27)28)15-12-22(4)16-6-5-13(18(25)26)11-14(15)16/h5-6,11-12,17H,7-10H2,1-4H3,(H,25,26)(H,27,28)