tert-butyl 4-[[1-methyl-5-(oxidanylcarbamoyl)indol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-methyl-5-(oxidanylcarbamoyl)indol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(hydroxycarbamoyl)-1-methyl-indol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(hydroxyamino)-oxomethyl]-1-methyl-3-indolyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(hydroxycarbamoyl)-1-methylindol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(hydroxycarbamoyl)-1-methyl-indol-3-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)C(=O)NO)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)C(=O)NO)C

InChI

InChI=1S/C20H28N4O4/c1-20(2,3)28-19(26)24-9-7-23(8-10-24)13-15-12-22(4)17-6-5-14(11-16(15)17)18(25)21-27/h5-6,11-12,27H,7-10,13H2,1-4H3,(H,21,25)