ethyl 4-[[4-[2-(5-bromanyl-2-methoxy-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(5-bromanyl-2-methoxy-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(5-bromo-2-methoxy-phenyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-(5-bromo-2-methoxyphenyl)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-(5-bromo-2-methoxy-phenyl)acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H33BrN4O5 MolecularWeight: 525.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H33BrN4O5/c1-3-33-22(31)28-12-6-18(7-13-28)26-21(30)23(8-10-25-11-9-23)27-20(29)15-16-14-17(24)4-5-19(16)32-2/h4-5,14,18,25H,3,6-13,15H2,1-2H3,(H,26,30)(H,27,29)