ethyl 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H20BrFN2O3 MolecularWeight: 399.254703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H20BrFN2O3/c1-2-24-17(23)21-9-7-14(8-10-21)20-16(22)6-3-12-11-13(18)4-5-15(12)19/h3-6,11,14H,2,7-10H2,1H3,(H,20,22)/b6-3+