ethyl 4-[[4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H35BrN4O5 MolecularWeight: 551.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2(CCNCC2)C(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2(CCNCC2)C(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C25H35BrN4O5/c1-3-34-21-7-6-19(26)17-18(21)5-8-22(31)29-25(11-13-27-14-12-25)23(32)28-20-9-15-30(16-10-20)24(33)35-4-2/h5-8,17,20,27H,3-4,9-16H2,1-2H3,(H,28,32)(H,29,31)