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

Systemtic Name: ethyl 2-[[4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C28H34BrN3O5 MolecularWeight: 572.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2(CCNCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2(CCNCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H34BrN3O5/c1-3-36-24-12-11-22(29)19-21(24)10-13-25(33)32-28(14-16-30-17-15-28)27(35)31-23(26(34)37-4-2)18-20-8-6-5-7-9-20/h5-13,19,23,30H,3-4,14-18H2,1-2H3,(H,31,35)(H,32,33)