tert-butyl 4-[[2-[(2-azanyl-5-chloranyl-phenyl)carbonylamino]ethanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(2-azanyl-5-chloranyl-phenyl)carbonylamino]ethanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-[(2-amino-5-chloro-benzoyl)amino]acetyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-[[(2-amino-5-chlorophenyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-[(2-amino-5-chlorobenzoyl)amino]acetyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-[(2-amino-5-chloro-benzoyl)amino]acetyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29ClN4O4 MolecularWeight: 424.92166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C20H29ClN4O4/c1-20(2,3)29-19(28)25-8-6-13(7-9-25)11-23-17(26)12-24-18(27)15-10-14(21)4-5-16(15)22/h4-5,10,13H,6-9,11-12,22H2,1-3H3,(H,23,26)(H,24,27)