ethyl 4-[4-[2-[(4-bromophenyl)carbonylamino]ethanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-[(4-bromophenyl)carbonylamino]ethanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-[(4-bromobenzoyl)amino]acetyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-[(4-bromobenzoyl)amino]acetyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-[(4-bromobenzoyl)amino]acetyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29BrN4O5 MolecularWeight: 497.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H29BrN4O5/c1-2-31-21(30)26-12-9-17(10-13-26)25-18(27)4-3-11-23-19(28)14-24-20(29)15-5-7-16(22)8-6-15/h5-8,17H,2-4,9-14H2,1H3,(H,23,28)(H,24,29)(H,25,27)