ethyl (3S)-1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(3-bromoanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(3-bromoanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(3-bromoanilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H21BrN2O3/c1-2-22-16(21)12-5-4-8-19(10-12)11-15(20)18-14-7-3-6-13(17)9-14/h3,6-7,9,12H,2,4-5,8,10-11H2,1H3,(H,18,20)/t12-/m0/s1