ethyl (3S)-1-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(5-bromo-2-furoyl)amino]acetyl]nipecotic acid ethyl ester Formula: C15H19BrN2O5 MolecularWeight: 387.22576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C15H19BrN2O5/c1-2-22-15(21)10-4-3-7-18(9-10)13(19)8-17-14(20)11-5-6-12(16)23-11/h5-6,10H,2-4,7-9H2,1H3,(H,17,20)/t10-/m0/s1